3-[(1-pteridin-4-ylpiperidin-4-yl)carbonylamino]benzoate

Systemtic Name: 3-[(1-pteridin-4-ylpiperidin-4-yl)carbonylamino]benzoate Openeye Name: 3-[(1-pteridin-4-ylpiperidine-4-carbonyl)amino]benzoate CAS Name: 3-[[oxo-[1-(4-pteridinyl)-4-piperidinyl]methyl]amino]benzoate IUPAC Name: 3-[(1-pteridin-4-ylpiperidine-4-carbonyl)amino]benzoate Traditional Name: 3-[(1-pteridin-4-ylisonipecotoyl)amino]benzoate Formula: C19H17N6O3- MolecularWeight: 377.37668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C(=O)[O-])C3=NC=NC4=NC=CN=C43

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C(=O)[O-])C3=NC=NC4=NC=CN=C43

InChI

InChI=1S/C19H18N6O3/c26-18(24-14-3-1-2-13(10-14)19(27)28)12-4-8-25(9-5-12)17-15-16(22-11-23-17)21-7-6-20-15/h1-3,6-7,10-12H,4-5,8-9H2,(H,24,26)(H,27,28)/p-1