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

Systemtic Name: 1-(4-methoxyphenyl)-6-propan-2-yl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 6-isopropyl-1-(4-methoxyphenyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 1-(4-methoxyphenyl)-6-propan-2-yl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 1-(4-methoxyphenyl)-6-propan-2-yl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 6-isopropyl-1-(4-methoxyphenyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC2=C(NC1)N(C(=S)NC2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[NH+]1CC2=C(NC1)N(C(=S)NC2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H20N4O2S/c1-10(2)19-8-13-14(17-9-19)20(16(23)18-15(13)21)11-4-6-12(22-3)7-5-11/h4-7,10,17H,8-9H2,1-3H3,(H,18,21,23)/p+1