N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1,3,7-trimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1,3,7-trimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1,3,7-trimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide Traditional Name: 2-[(2,4-diketo-1,3,7-trimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]-N-homoveratryl-acetamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC1=NC2=C(C(=N1)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H25N5O5S/c1-12-23-18-17(20(28)26(3)21(29)25(18)2)19(24-12)32-11-16(27)22-9-8-13-6-7-14(30-4)15(10-13)31-5/h6-7,10H,8-9,11H2,1-5H3,(H,22,27)