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Home > Encyclopedia > methyl 4-[4-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-3-oxobutyl]sulfanylbenzoate

methyl 4-[4-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-3-oxobutyl]sulfanylbenzoate

methyl 4-[4-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-3-oxobutyl]sulfanylbenzoate structure

methyl 4-[4-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-3-oxobutyl]sulfanylbenzoate 

structure
  • CAS No:

    74163-02-3

  • Formula:

    C16H18N6O5S

  • Chemical Name:

    methyl 4-[4-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-3-oxobutyl]sulfanylbenzoate

  • Synonyms:

    74163-02-3;NSC319974;DTXSID20317728;ZINC5386675;NSC-319974;methyl 4-[4-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-3-oxobutyl]sulfanylbenzoate

methyl 4-[4-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-3-oxobutyl]sulfanylbenzoate Basic Attributes

406.4 g/mol

406.10593887 g/mol

319974

DTXSID20317728

Characteristics

204 Ų

Computed Properties

Molecular Weight:406.4
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:406.10593887
Monoisotopic Mass:406.10593887
Topological Polar Surface Area:204
Heavy Atom Count:28
Complexity:554
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 4-[4-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-3-oxobutyl]sulfanylbenzoate

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