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

Systemtic Name: 6-butyl-1-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-butyl-1-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 6-butyl-1-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 6-butyl-1-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-butyl-1-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3/c1-3-4-9-20-10-14-15(18-11-20)21(17(23)19-16(14)22)12-5-7-13(24-2)8-6-12/h5-8,18H,3-4,9-11H2,1-2H3,(H,19,22,23)/p+1