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

Systemtic Name: 6-phenethyl-1-(phenylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 1-benzyl-6-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 6-phenethyl-1-(phenylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1-benzyl-6-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 1-benzyl-6-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NC[NH+]1CCC3=CC=CC=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

C1C2=C(NC[NH+]1CCC3=CC=CC=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2/c26-20-18-14-24(12-11-16-7-3-1-4-8-16)15-22-19(18)25(21(27)23-20)13-17-9-5-2-6-10-17/h1-10,22H,11-15H2,(H,23,26,27)/p+1