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

Systemtic Name: 6-cyclopentyl-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-cyclopentyl-1-(3-pyridylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 6-cyclopentyl-1-(3-pyridinylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 6-cyclopentyl-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-cyclopentyl-1-(3-pyridylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C17H22N5O2+ MolecularWeight: 328.38888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CC3=C(NC2)N(C(=O)NC3=O)CC4=CN=CC=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CC3=C(NC2)N(C(=O)NC3=O)CC4=CN=CC=C4

InChI

InChI=1S/C17H21N5O2/c23-16-14-10-21(13-5-1-2-6-13)11-19-15(14)22(17(24)20-16)9-12-4-3-7-18-8-12/h3-4,7-8,13,19H,1-2,5-6,9-11H2,(H,20,23,24)/p+1