1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-4-keto-quinolizine-3-carboxylic acid Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=NC=NC=C21)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O

Isomeric SMILES

C1CN(CC2=NC=NC=C21)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O

InChI

InChI=1S/C18H16N4O3/c23-17-14(18(24)25)7-13(16-3-1-2-5-22(16)17)9-21-6-4-12-8-19-11-20-15(12)10-21/h1-3,5,7-8,11H,4,6,9-10H2,(H,24,25)