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

Systemtic Name: 1-(4-methoxyphenyl)-6-propan-2-yl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-isopropyl-1-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 1-(4-methoxyphenyl)-6-propan-2-yl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1-(4-methoxyphenyl)-6-propan-2-yl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-isopropyl-1-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C16H21N4O3+ MolecularWeight: 317.36294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3/c1-10(2)19-8-13-14(17-9-19)20(16(22)18-15(13)21)11-4-6-12(23-3)7-5-11/h4-7,10,17H,8-9H2,1-3H3,(H,18,21,22)/p+1