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

Systemtic Name: 6-butyl-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-butyl-1-(3-pyridylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 6-butyl-1-(3-pyridinylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 6-butyl-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-butyl-1-(3-pyridylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C16H22N5O2+ MolecularWeight: 316.37818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O2/c1-2-3-7-20-10-13-14(18-11-20)21(16(23)19-15(13)22)9-12-5-4-6-17-8-12/h4-6,8,18H,2-3,7,9-11H2,1H3,(H,19,22,23)/p+1