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

Systemtic Name: 1-(4-chlorophenyl)-6-(2-methoxyethyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 1-(4-chlorophenyl)-6-(2-methoxyethyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 1-(4-chlorophenyl)-6-(2-methoxyethyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 1-(4-chlorophenyl)-6-(2-methoxyethyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 1-(4-chlorophenyl)-6-(2-methoxyethyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C15H18ClN4O2S+ MolecularWeight: 353.84702

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CC2=C(NC1)N(C(=S)NC2=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COCC[NH+]1CC2=C(NC1)N(C(=S)NC2=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H17ClN4O2S/c1-22-7-6-19-8-12-13(17-9-19)20(15(23)18-14(12)21)11-4-2-10(16)3-5-11/h2-5,17H,6-9H2,1H3,(H,18,21,23)/p+1