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

Systemtic Name: 5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-6-(phenylmethylsulfanyl)pyrazine-2-carboxamide Openeye Name: 6-benzylsulfanyl-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-pyrazine-2-carboxamide CAS Name: 5-(ethylamino)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-methoxy-6-(phenylmethylthio)-2-pyrazinecarboxamide IUPAC Name: 6-benzylsulfanyl-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxypyrazine-2-carboxamide Traditional Name: 6-(benzylthio)-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-pyrazinamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=C(N=C1SCC2=CC=CC=C2)C(=O)NCC3CCCN3CC)OC

Isomeric SMILES

CCNC1=NC(=C(N=C1SCC2=CC=CC=C2)C(=O)NCC3CCCN3CC)OC

InChI

InChI=1S/C22H31N5O2S/c1-4-23-19-22(30-15-16-10-7-6-8-11-16)25-18(21(26-19)29-3)20(28)24-14-17-12-9-13-27(17)5-2/h6-8,10-11,17H,4-5,9,12-15H2,1-3H3,(H,23,26)(H,24,28)