2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ca76e9fa21854dba84bc75104f5154ff.png "2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
structure -
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CAS No:
554405-37-7
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Formula:
C18H17N7OS2
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Chemical Name:
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
ZINC3274731;AKOS034444024;MCULE-9308585659;SR-01000039926;SR-01000039926-1;Z55022135;5-({[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;554405-37-7
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CAS No:
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
411.5 g/mol
411.09360054 g/mol
Computed Properties
Molecular Weight:411.5
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:411.09360054
Monoisotopic Mass:411.09360054
Topological Polar Surface Area:165
Heavy Atom Count:28
Complexity:635
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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