3-azanyl-6-chloranyl-5-[(phenylmethyl)-piperidin-4-yl-amino]pyrazine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-chloranyl-5-[(phenylmethyl)-piperidin-4-yl-amino]pyrazine-2-carboxylic acid Openeye Name: 3-amino-5-[benzyl(4-piperidyl)amino]-6-chloro-pyrazine-2-carboxylic acid CAS Name: 3-amino-6-chloro-5-[(phenylmethyl)-(4-piperidinyl)amino]-2-pyrazinecarboxylic acid IUPAC Name: 3-amino-5-[benzyl(piperidin-4-yl)amino]-6-chloropyrazine-2-carboxylic acid Traditional Name: 3-amino-5-[benzyl(4-piperidyl)amino]-6-chloro-pyrazinoic acid Formula: C17H20ClN5O2 MolecularWeight: 361.826

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(CC2=CC=CC=C2)C3=NC(=C(N=C3Cl)C(=O)O)N

Isomeric SMILES

C1CNCCC1N(CC2=CC=CC=C2)C3=NC(=C(N=C3Cl)C(=O)O)N

InChI

InChI=1S/C17H20ClN5O2/c18-14-16(22-15(19)13(21-14)17(24)25)23(12-6-8-20-9-7-12)10-11-4-2-1-3-5-11/h1-5,12,20H,6-10H2,(H2,19,22)(H,24,25)