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

Systemtic Name: 1-(2-chlorophenyl)-6-[(4-methoxyphenyl)methyl]-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 1-(2-chlorophenyl)-6-[(4-methoxyphenyl)methyl]-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 1-(2-chlorophenyl)-6-[(4-methoxyphenyl)methyl]-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 1-(2-chlorophenyl)-6-[(4-methoxyphenyl)methyl]-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 1-(2-chlorophenyl)-6-p-anisyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C20H20ClN4O2S+ MolecularWeight: 415.9164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC3=C(NC2)N(C(=S)NC3=O)C4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC3=C(NC2)N(C(=S)NC3=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H19ClN4O2S/c1-27-14-8-6-13(7-9-14)10-24-11-15-18(22-12-24)25(20(28)23-19(15)26)17-5-3-2-4-16(17)21/h2-9,22H,10-12H2,1H3,(H,23,26,28)/p+1