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

Systemtic Name: N-cyclopentyl-2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-thiophen-2-yl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-ethanamide Openeye Name: N-cyclopentyl-2-[1,3-dimethyl-2,4-dioxo-7-(2-thienyl)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide CAS Name: N-cyclopentyl-2-[(1,3-dimethyl-2,4-dioxo-7-thiophen-2-yl-5-pyrimido[4,5-d]pyrimidinyl)thio]acetamide IUPAC Name: N-cyclopentyl-2-(1,3-dimethyl-2,4-dioxo-7-thiophen-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide Traditional Name: N-cyclopentyl-2-[[2,4-diketo-1,3-dimethyl-7-(2-thienyl)pyrimido[4,5-d]pyrimidin-5-yl]thio]acetamide Formula: C19H21N5O3S2 MolecularWeight: 431.53174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC(=O)NC4CCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC(=O)NC4CCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C19H21N5O3S2/c1-23-16-14(18(26)24(2)19(23)27)17(22-15(21-16)12-8-5-9-28-12)29-10-13(25)20-11-6-3-4-7-11/h5,8-9,11H,3-4,6-7,10H2,1-2H3,(H,20,25)