6-cyclopentyl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 6-cyclopentyl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-cyclopentyl-1-(3-pyridylmethyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-cyclopentyl-1-(3-pyridinylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-cyclopentyl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-cyclopentyl-1-(3-pyridylmethyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CC3=C(NC2)N(C(=S)NC3=O)CC4=CN=CC=C4

Isomeric SMILES

C1CCC(C1)N2CC3=C(NC2)N(C(=S)NC3=O)CC4=CN=CC=C4

InChI

InChI=1S/C17H21N5OS/c23-16-14-10-21(13-5-1-2-6-13)11-19-15(14)22(17(24)20-16)9-12-4-3-7-18-8-12/h3-4,7-8,13,19H,1-2,5-6,9-11H2,(H,20,23,24)