5-acetamido-2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-oxidanylidene-1H-pyrimidin-6-yl)ethyl]benzamide

Systemtic Name: 5-acetamido-2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-oxidanylidene-1H-pyrimidin-6-yl)ethyl]benzamide Openeye Name: 5-acetamido-2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-oxo-1H-pyrimidin-6-yl)ethyl]benzamide CAS Name: 5-acetamido-2-(2,5-dimethyl-1-pyrrolyl)-N-[2-(4-oxo-1H-pyrimidin-6-yl)ethyl]benzamide IUPAC Name: 5-acetamido-2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-oxo-1H-pyrimidin-6-yl)ethyl]benzamide Traditional Name: 5-acetamido-2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-keto-1H-pyrimidin-6-yl)ethyl]benzamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=C(C=C2)NC(=O)C)C(=O)NCCC3=CC(=O)N=CN3)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=C(C=C2)NC(=O)C)C(=O)NCCC3=CC(=O)N=CN3)C

InChI

InChI=1S/C21H23N5O3/c1-13-4-5-14(2)26(13)19-7-6-17(25-15(3)27)10-18(19)21(29)22-9-8-16-11-20(28)24-12-23-16/h4-7,10-12H,8-9H2,1-3H3,(H,22,29)(H,25,27)(H,23,24,28)