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

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-(2-ethylsulfanyl-5-oxidanylidene-pyrimido[4,5-d]pyrimidin-6-yl)ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-(2-ethylsulfanyl-5-oxo-pyrimido[4,5-d]pyrimidin-6-yl)acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[2-(ethylthio)-5-oxo-6-pyrimido[4,5-d]pyrimidinyl]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[2-(ethylthio)-5-keto-pyrimido[4,5-d]pyrimidin-6-yl]acetamide Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O4S/c1-4-28-18-19-8-12-16(22-18)20-10-23(17(12)25)9-15(24)21-13-7-11(26-2)5-6-14(13)27-3/h5-8,10H,4,9H2,1-3H3,(H,21,24)