6-cyclopentyl-1-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione

Systemtic Name: 6-cyclopentyl-1-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-cyclopentyl-1-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 6-cyclopentyl-1-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 6-cyclopentyl-1-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-cyclopentyl-1-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CC3=C(NC2)N(C(=O)NC3=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CC3=C(NC2)N(C(=O)NC3=O)C4=CC=CC=C4

InChI

InChI=1S/C17H20N4O2/c22-16-14-10-20(12-6-4-5-7-12)11-18-15(14)21(17(23)19-16)13-8-2-1-3-9-13/h1-3,8-9,12,18H,4-7,10-11H2,(H,19,22,23)/p+1