3-azanyl-N-[[1-(N'-cyanocarbamimidoyl)-4-(3-methylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[[1-(N'-cyanocarbamimidoyl)-4-(3-methylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[1-(N'-cyanocarbamimidoyl)-4-(m-tolyl)-4-piperidyl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[1-[amino(cyanoimino)methyl]-4-(3-methylphenyl)-4-piperidinyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[1-(N'-cyanocarbamimidoyl)-4-(3-methylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[1-(N'-cyanoamidino)-4-(m-tolyl)-4-piperidyl]methyl]pyrazinamide Formula: C20H24N8O MolecularWeight: 392.45756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(CCN(CC2)C(=NC#N)N)CNC(=O)C3=NC=CN=C3N

Isomeric SMILES

CC1=CC=CC(=C1)C2(CCN(CC2)C(=NC#N)N)CNC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C20H24N8O/c1-14-3-2-4-15(11-14)20(5-9-28(10-6-20)19(23)27-13-21)12-26-18(29)16-17(22)25-8-7-24-16/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H2,22,25)(H2,23,27)(H,26,29)