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

Systemtic Name: 1-(3-chlorophenyl)-6-(phenylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 6-benzyl-1-(3-chlorophenyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 1-(3-chlorophenyl)-6-(phenylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 6-benzyl-1-(3-chlorophenyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 6-benzyl-1-(3-chlorophenyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C19H18ClN4OS+ MolecularWeight: 385.89042

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NC[NH+]1CC3=CC=CC=C3)N(C(=S)NC2=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1C2=C(NC[NH+]1CC3=CC=CC=C3)N(C(=S)NC2=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H17ClN4OS/c20-14-7-4-8-15(9-14)24-17-16(18(25)22-19(24)26)11-23(12-21-17)10-13-5-2-1-3-6-13/h1-9,21H,10-12H2,(H,22,25,26)/p+1