N-(4-acetamidophenyl)-2-(2-ethylsulfanyl-5-oxidanylidene-pyrimido[4,5-d]pyrimidin-6-yl)ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-(2-ethylsulfanyl-5-oxidanylidene-pyrimido[4,5-d]pyrimidin-6-yl)ethanamide Openeye Name: N-(4-acetamidophenyl)-2-(2-ethylsulfanyl-5-oxo-pyrimido[4,5-d]pyrimidin-6-yl)acetamide CAS Name: N-(4-acetamidophenyl)-2-[2-(ethylthio)-5-oxo-6-pyrimido[4,5-d]pyrimidinyl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide Traditional Name: N-(4-acetamidophenyl)-2-[2-(ethylthio)-5-keto-pyrimido[4,5-d]pyrimidin-6-yl]acetamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C2C(=N1)N=CN(C2=O)CC(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCSC1=NC=C2C(=N1)N=CN(C2=O)CC(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C18H18N6O3S/c1-3-28-18-19-8-14-16(23-18)20-10-24(17(14)27)9-15(26)22-13-6-4-12(5-7-13)21-11(2)25/h4-8,10H,3,9H2,1-2H3,(H,21,25)(H,22,26)