N-(1,3-benzodioxol-5-yl)-2-[(3-methyl-4-oxidanylidene-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(3-methyl-4-oxidanylidene-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-methyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-methyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(3-methyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4-keto-3-methyl-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]acetamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N4O4S/c1-26-21(28)20-19(15(10-23-20)13-5-3-2-4-6-13)25-22(26)31-11-18(27)24-14-7-8-16-17(9-14)30-12-29-16/h2-10,23H,11-12H2,1H3,(H,24,27)