3-[[3,5-bis(oxidanylidene)-1,2,4-triazinan-6-yl]amino]-N-[(E)-(4-bromophenyl)methylideneamino]propanamide

Systemtic Name: 3-[[3,5-bis(oxidanylidene)-1,2,4-triazinan-6-yl]amino]-N-[(E)-(4-bromophenyl)methylideneamino]propanamide Openeye Name: N-[(E)-(4-bromophenyl)methyleneamino]-3-[(3,5-dioxo-1,2,4-triazinan-6-yl)amino]propanamide CAS Name: N-[(E)-(4-bromophenyl)methylideneamino]-3-[(3,5-dioxo-1,2,4-triazinan-6-yl)amino]propanamide IUPAC Name: N-[(E)-(4-bromophenyl)methylideneamino]-3-[(3,5-dioxo-1,2,4-triazinan-6-yl)amino]propanamide Traditional Name: N-[(E)-(4-bromobenzylidene)amino]-3-[(3,5-diketo-1,2,4-triazinan-6-yl)amino]propionamide Formula: C13H15BrN6O3 MolecularWeight: 383.2006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC(=O)CCNC2C(=O)NC(=O)NN2)Br

Isomeric SMILES

C1=CC(=CC=C1/C=N/NC(=O)CCNC2C(=O)NC(=O)NN2)Br

InChI

InChI=1S/C13H15BrN6O3/c14-9-3-1-8(2-4-9)7-16-18-10(21)5-6-15-11-12(22)17-13(23)20-19-11/h1-4,7,11,15,19H,5-6H2,(H,18,21)(H2,17,20,22,23)/b16-7+