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

Systemtic Name: 2-[7-ethyl-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-(7-ethyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[(7-ethyl-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-phenethylacetamide IUPAC Name: 2-(7-ethyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(7-ethyl-2,4-diketo-1,3-dimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]-N-phenethyl-acetamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)SCC(=O)NCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC1=NC2=C(C(=N1)SCC(=O)NCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H23N5O3S/c1-4-14-22-17-16(19(27)25(3)20(28)24(17)2)18(23-14)29-12-15(26)21-11-10-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H,21,26)