N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-butan-2-ylidene]amino]pyrazine-2-carboxamide

Systemtic Name: N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-butan-2-ylidene]amino]pyrazine-2-carboxamide Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-ylamino)-1-methyl-3-oxo-propylidene]amino]pyrazine-2-carboxamide CAS Name: N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]-2-pyrazinecarboxamide IUPAC Name: N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]pyrazine-2-carboxamide Traditional Name: N-[(E)-[3-(1,3-benzodioxol-5-ylamino)-3-keto-1-methyl-propylidene]amino]pyrazinamide Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NC=CN=C1)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N\NC(=O)C1=NC=CN=C1)/CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H15N5O4/c1-10(20-21-16(23)12-8-17-4-5-18-12)6-15(22)19-11-2-3-13-14(7-11)25-9-24-13/h2-5,7-8H,6,9H2,1H3,(H,19,22)(H,21,23)/b20-10+