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

Systemtic Name: 1-phenethyl-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 1-phenethyl-6-(3-pyridylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 1-phenethyl-6-(3-pyridinylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1-phenethyl-6-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 1-phenethyl-6-(3-pyridylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NC[NH+]1CC3=CN=CC=C3)N(C(=O)NC2=O)CCC4=CC=CC=C4

Isomeric SMILES

C1C2=C(NC[NH+]1CC3=CN=CC=C3)N(C(=O)NC2=O)CCC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O2/c26-19-17-13-24(12-16-7-4-9-21-11-16)14-22-18(17)25(20(27)23-19)10-8-15-5-2-1-3-6-15/h1-7,9,11,22H,8,10,12-14H2,(H,23,26,27)/p+1