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

Systemtic Name: 1-(4-chlorophenyl)-6-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 1-(4-chlorophenyl)-6-phenethyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 1-(4-chlorophenyl)-6-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 1-(4-chlorophenyl)-6-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 1-(4-chlorophenyl)-6-phenethyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C20H20ClN4OS+ MolecularWeight: 399.917

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NC[NH+]1CCC3=CC=CC=C3)N(C(=S)NC2=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2=C(NC[NH+]1CCC3=CC=CC=C3)N(C(=S)NC2=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H19ClN4OS/c21-15-6-8-16(9-7-15)25-18-17(19(26)23-20(25)27)12-24(13-22-18)11-10-14-4-2-1-3-5-14/h1-9,22H,10-13H2,(H,23,26,27)/p+1