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

Systemtic Name: 6-butyl-1-(phenylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 1-benzyl-6-butyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 6-butyl-1-(phenylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1-benzyl-6-butyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 1-benzyl-6-butyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CC2=C(NC1)N(C(=O)NC2=O)CC3=CC=CC=C3

Isomeric SMILES

CCCC[NH+]1CC2=C(NC1)N(C(=O)NC2=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2/c1-2-3-9-20-11-14-15(18-12-20)21(17(23)19-16(14)22)10-13-7-5-4-6-8-13/h4-8,18H,2-3,9-12H2,1H3,(H,19,22,23)/p+1