6-chloranyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-(phenylmethylsulfanyl)pyrazine-2-carboxamide

Systemtic Name: 6-chloranyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-(phenylmethylsulfanyl)pyrazine-2-carboxamide Openeye Name: 5-benzylsulfanyl-6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-pyrazine-2-carboxamide CAS Name: 6-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-methoxy-5-(phenylmethylthio)-2-pyrazinecarboxamide IUPAC Name: 5-benzylsulfanyl-6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxypyrazine-2-carboxamide Traditional Name: 5-(benzylthio)-6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-pyrazinamide Formula: C20H25ClN4O2S MolecularWeight: 420.9561

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=C(N=C(C(=N2)Cl)SCC3=CC=CC=C3)OC

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=C(N=C(C(=N2)Cl)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H25ClN4O2S/c1-3-25-11-7-10-15(25)12-22-18(26)16-19(27-2)24-20(17(21)23-16)28-13-14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-13H2,1-2H3,(H,22,26)