N-[(1E)-1-(aminocarbonylhydrazinylidene)butan-2-yl]-3-benzamido-4-oxidanylidene-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

Systemtic Name: N-[(1E)-1-(aminocarbonylhydrazinylidene)butan-2-yl]-3-benzamido-4-oxidanylidene-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide Openeye Name: 3-benzamido-N-[1-[(E)-(carbamoylhydrazono)methyl]propyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide CAS Name: 3-benzamido-N-[(1E)-1-(carbamoylhydrazinylidene)butan-2-yl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide IUPAC Name: 3-benzamido-N-[(1E)-1-(carbamoylhydrazinylidene)butan-2-yl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide Traditional Name: 3-benzamido-4-keto-N-[1-[(E)-semicarbazonomethyl]propyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide Formula: C20H23N7O4 MolecularWeight: 425.44112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=NNC(=O)N)NC(=O)C1CCC2=NC=C(C(=O)N12)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(/C=N/NC(=O)N)NC(=O)C1CCC2=NC=C(C(=O)N12)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N7O4/c1-2-13(10-23-26-20(21)31)24-18(29)15-8-9-16-22-11-14(19(30)27(15)16)25-17(28)12-6-4-3-5-7-12/h3-7,10-11,13,15H,2,8-9H2,1H3,(H,24,29)(H,25,28)(H3,21,26,31)/b23-10+