6-cyclopentyl-1-phenyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one

Systemtic Name: 6-cyclopentyl-1-phenyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 6-cyclopentyl-1-phenyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 6-cyclopentyl-1-phenyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 6-cyclopentyl-1-phenyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 6-cyclopentyl-1-phenyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C17H21N4OS+ MolecularWeight: 329.43984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CC3=C(NC2)N(C(=S)NC3=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CC3=C(NC2)N(C(=S)NC3=O)C4=CC=CC=C4

InChI

InChI=1S/C17H20N4OS/c22-16-14-10-20(12-6-4-5-7-12)11-18-15(14)21(17(23)19-16)13-8-2-1-3-9-13/h1-3,8-9,12,18H,4-7,10-11H2,(H,19,22,23)/p+1