methyl 3-azanyl-6-chloranyl-5-[[1-(phenylmethyl)piperidin-4-yl]amino]pyrazine-2-carboxylate

Systemtic Name: methyl 3-azanyl-6-chloranyl-5-[[1-(phenylmethyl)piperidin-4-yl]amino]pyrazine-2-carboxylate Openeye Name: methyl 3-amino-5-[(1-benzyl-4-piperidyl)amino]-6-chloro-pyrazine-2-carboxylate CAS Name: 3-amino-6-chloro-5-[[1-(phenylmethyl)-4-piperidinyl]amino]-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-[(1-benzylpiperidin-4-yl)amino]-6-chloropyrazine-2-carboxylate Traditional Name: 3-amino-5-[(1-benzyl-4-piperidyl)amino]-6-chloro-pyrazinic acid methyl ester Formula: C18H22ClN5O2 MolecularWeight: 375.85258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(C(=N1)Cl)NC2CCN(CC2)CC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=C(N=C(C(=N1)Cl)NC2CCN(CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C18H22ClN5O2/c1-26-18(25)14-16(20)23-17(15(19)22-14)21-13-7-9-24(10-8-13)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H3,20,21,23)