3-azanyl-6-[3-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-N-pyridin-3-yl-pyrazine-2-carboxamide hydrochloride

Systemtic Name: 3-azanyl-6-[3-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-N-pyridin-3-yl-pyrazine-2-carboxamide hydrochloride Openeye Name: 3-amino-6-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-N-(3-pyridyl)pyrazine-2-carboxamide hydrochloride CAS Name: 3-amino-6-[3-fluoro-4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-(3-pyridinyl)-2-pyrazinecarboxamide hydrochloride IUPAC Name: 3-amino-6-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide hydrochloride Traditional Name: 3-amino-6-[3-fluoro-4-(4-methylpiperazino)sulfonyl-phenyl]-N-(3-pyridyl)pyrazinamide hydrochloride Formula: C21H23ClFN7O3S MolecularWeight: 507.968823

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N)F.Cl

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N)F.Cl

InChI

InChI=1S/C21H22FN7O3S.ClH/c1-28-7-9-29(10-8-28)33(31,32)18-5-4-14(11-16(18)22)17-13-25-20(23)19(27-17)21(30)26-15-3-2-6-24-12-15;/h2-6,11-13H,7-10H2,1H3,(H2,23,25)(H,26,30);1H