3-azanyl-N-(cyanomethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-(cyanomethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-(cyanomethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-(cyanomethyl)-6-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-(cyanomethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-(cyanomethyl)-6-[4-(4-methylpiperazino)sulfonylphenyl]pyrazinamide Formula: C18H21N7O3S MolecularWeight: 415.46944

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NCC#N)N

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NCC#N)N

InChI

InChI=1S/C18H21N7O3S/c1-24-8-10-25(11-9-24)29(27,28)14-4-2-13(3-5-14)15-12-22-17(20)16(23-15)18(26)21-7-6-19/h2-5,12H,7-11H2,1H3,(H2,20,22)(H,21,26)