N-[(E)-[4-oxidanylidene-4-[(phenylmethyl)amino]butan-2-ylidene]amino]pyrazine-2-carboxamide

Systemtic Name: N-[(E)-[4-oxidanylidene-4-[(phenylmethyl)amino]butan-2-ylidene]amino]pyrazine-2-carboxamide Openeye Name: N-[(E)-[3-(benzylamino)-1-methyl-3-oxo-propylidene]amino]pyrazine-2-carboxamide CAS Name: N-[(E)-[4-oxo-4-[(phenylmethyl)amino]butan-2-ylidene]amino]-2-pyrazinecarboxamide IUPAC Name: N-[(E)-[4-(benzylamino)-4-oxobutan-2-ylidene]amino]pyrazine-2-carboxamide Traditional Name: N-[(E)-[3-(benzylamino)-3-keto-1-methyl-propylidene]amino]pyrazinamide Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NC=CN=C1)CC(=O)NCC2=CC=CC=C2

Isomeric SMILES

C/C(=N\NC(=O)C1=NC=CN=C1)/CC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C16H17N5O2/c1-12(20-21-16(23)14-11-17-7-8-18-14)9-15(22)19-10-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H,21,23)/b20-12+