1-phenyl-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione

Systemtic Name: 1-phenyl-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 1-phenyl-6-(3-pyridylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 1-phenyl-6-(3-pyridinylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1-phenyl-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 1-phenyl-6-(3-pyridylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C18H18N5O2+ MolecularWeight: 336.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NC[NH+]1CC3=CN=CC=C3)N(C(=O)NC2=O)C4=CC=CC=C4

Isomeric SMILES

C1C2=C(NC[NH+]1CC3=CN=CC=C3)N(C(=O)NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C18H17N5O2/c24-17-15-11-22(10-13-5-4-8-19-9-13)12-20-16(15)23(18(25)21-17)14-6-2-1-3-7-14/h1-9,20H,10-12H2,(H,21,24,25)/p+1