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

Systemtic Name: 6-propyl-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-propyl-1-(3-pyridylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 6-propyl-1-(3-pyridinylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 6-propyl-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-propyl-1-(3-pyridylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C15H20N5O2+ MolecularWeight: 302.3516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC2=C(NC1)N(C(=O)NC2=O)CC3=CN=CC=C3

Isomeric SMILES

CCC[NH+]1CC2=C(NC1)N(C(=O)NC2=O)CC3=CN=CC=C3

InChI

InChI=1S/C15H19N5O2/c1-2-6-19-9-12-13(17-10-19)20(15(22)18-14(12)21)8-11-4-3-5-16-7-11/h3-5,7,17H,2,6,8-10H2,1H3,(H,18,21,22)/p+1