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

Systemtic Name: 1-(4-methylphenyl)-6-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 6-phenethyl-1-(p-tolyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 1-(4-methylphenyl)-6-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 1-(4-methylphenyl)-6-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 6-phenethyl-1-(p-tolyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C21H23N4OS+ MolecularWeight: 379.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C[NH+](CN3)CCC4=CC=CC=C4)C(=O)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C[NH+](CN3)CCC4=CC=CC=C4)C(=O)NC2=S

InChI

InChI=1S/C21H22N4OS/c1-15-7-9-17(10-8-15)25-19-18(20(26)23-21(25)27)13-24(14-22-19)12-11-16-5-3-2-4-6-16/h2-10,22H,11-14H2,1H3,(H,23,26,27)/p+1