1-(3-chlorophenyl)-6-cyclopentyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one

Systemtic Name: 1-(3-chlorophenyl)-6-cyclopentyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 1-(3-chlorophenyl)-6-cyclopentyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 1-(3-chlorophenyl)-6-cyclopentyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 1-(3-chlorophenyl)-6-cyclopentyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 1-(3-chlorophenyl)-6-cyclopentyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C17H20ClN4OS+ MolecularWeight: 363.8849

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4OS/c18-11-4-3-7-13(8-11)22-15-14(16(23)20-17(22)24)9-21(10-19-15)12-5-1-2-6-12/h3-4,7-8,12,19H,1-2,5-6,9-10H2,(H,20,23,24)/p+1