N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-(4-keto-2,6-dimethyl-1H-pyrimidin-5-yl)propionamide Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)CCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17N3O4/c1-9-12(16(21)18-10(2)17-9)4-6-15(20)19-11-3-5-13-14(7-11)23-8-22-13/h3,5,7H,4,6,8H2,1-2H3,(H,19,20)(H,17,18,21)