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

Systemtic Name: 2-[7-cyclopropyl-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-(7-cyclopropyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[(7-cyclopropyl-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-phenethylacetamide IUPAC Name: 2-(7-cyclopropyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(7-cyclopropyl-2,4-diketo-1,3-dimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]-N-phenethyl-acetamide Formula: C21H23N5O3S MolecularWeight: 425.50402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)NCCC4=CC=CC=C4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)NCCC4=CC=CC=C4)C(=O)N(C1=O)C

InChI

InChI=1S/C21H23N5O3S/c1-25-18-16(20(28)26(2)21(25)29)19(24-17(23-18)14-8-9-14)30-12-15(27)22-11-10-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,22,27)