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

Systemtic Name: 6-[(4-methoxyphenyl)methyl]-1-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 6-[(4-methoxyphenyl)methyl]-1-phenethyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 6-[(4-methoxyphenyl)methyl]-1-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 6-[(4-methoxyphenyl)methyl]-1-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 6-p-anisyl-1-phenethyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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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)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC3=C(NC2)N(C(=S)NC3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-28-18-9-7-17(8-10-18)13-25-14-19-20(23-15-25)26(22(29)24-21(19)27)12-11-16-5-3-2-4-6-16/h2-10,23H,11-15H2,1H3,(H,24,27,29)/p+1