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

Systemtic Name: 1-(6-methylpyridin-2-yl)-6-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 1-(6-methyl-2-pyridyl)-6-phenethyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 1-(6-methyl-2-pyridinyl)-6-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 1-(6-methylpyridin-2-yl)-6-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 1-(6-methyl-2-pyridyl)-6-phenethyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C20H22N5OS+ MolecularWeight: 380.48658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS/c1-14-6-5-9-17(22-14)25-18-16(19(26)23-20(25)27)12-24(13-21-18)11-10-15-7-3-2-4-8-15/h2-9,21H,10-13H2,1H3,(H,23,26,27)/p+1