N-[amino-[2-aminoethylcarbamothioyl-(4-aminophenyl)-λ4-sulfanylidene]methyl]-N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
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![N-[amino-[2-aminoethylcarbamothioyl-(4-aminophenyl)-λ<sup>4</sup>-sulfanylidene]methyl]-N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/df28d3123f1b4b52992d7e06ff804d0b.png "N-[amino-[2-aminoethylcarbamothioyl-(4-aminophenyl)-λ<sup>4</sup>-sulfanylidene]methyl]-N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide")
N-[amino-[2-aminoethylcarbamothioyl-(4-aminophenyl)-λ4-sulfanylidene]methyl]-N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
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CAS No:
119305-44-1
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Formula:
C31H42N10O4S2
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Chemical Name:
N-[amino-[2-aminoethylcarbamothioyl-(4-aminophenyl)-λ4-sulfanylidene]methyl]-N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
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CAS No:
N-[amino-[2-aminoethylcarbamothioyl-(4-aminophenyl)-λ4-sulfanylidene]methyl]-N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide Basic Attributes
682.86000
712.25737138
Drug Information
1,3-dipropyl-8-(2-aminoethylaminothiocarbonyl-(4-aminophenyl)(aminothiocarbonyl-(2-aminoethylaminocarbonyl-(4-methoxy(phenyl)))))xanthine
Computed Properties
Molecular Weight:712.8
XLogP3:3.9
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:19
Exact Mass:712.25737138
Monoisotopic Mass:712.25737138
Topological Polar Surface Area:267
Heavy Atom Count:49
Complexity:1110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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