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

Systemtic Name: 3-azanyl-6-chloranyl-5-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-yl-amino]pyrazine-2-carboxylic acid Openeye Name: 3-amino-5-[tert-butoxycarbonyl(4-piperidyl)amino]-6-chloro-pyrazine-2-carboxylic acid CAS Name: 3-amino-6-chloro-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(4-piperidinyl)amino]-2-pyrazinecarboxylic acid IUPAC Name: 3-amino-6-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylamino]pyrazine-2-carboxylic acid Traditional Name: 3-amino-5-[tert-butoxycarbonyl(4-piperidyl)amino]-6-chloro-pyrazinoic acid Formula: C15H22ClN5O4 MolecularWeight: 371.81928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1CCNCC1)C2=NC(=C(N=C2Cl)C(=O)O)N

Isomeric SMILES

CC(C)(C)OC(=O)N(C1CCNCC1)C2=NC(=C(N=C2Cl)C(=O)O)N

InChI

InChI=1S/C15H22ClN5O4/c1-15(2,3)25-14(24)21(8-4-6-18-7-5-8)12-10(16)19-9(13(22)23)11(17)20-12/h8,18H,4-7H2,1-3H3,(H2,17,20)(H,22,23)