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

Systemtic Name: 6-cyclohexyl-1-(phenylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 1-benzyl-6-cyclohexyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 6-cyclohexyl-1-(phenylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1-benzyl-6-cyclohexyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 1-benzyl-6-cyclohexyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CC3=C(NC2)N(C(=O)NC3=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)[NH+]2CC3=C(NC2)N(C(=O)NC3=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H24N4O2/c24-18-16-12-22(15-9-5-2-6-10-15)13-20-17(16)23(19(25)21-18)11-14-7-3-1-4-8-14/h1,3-4,7-8,15,20H,2,5-6,9-13H2,(H,21,24,25)/p+1