2-[(3,4-dimethylphenyl)methoxy]-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide

Systemtic Name: 2-[(3,4-dimethylphenyl)methoxy]-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide Openeye Name: 2-[(3,4-dimethylphenyl)methoxy]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)methoxy]-N-(2-oxo-3-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 2-[(3,4-dimethylphenyl)methoxy]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide Traditional Name: 2-(3,4-dimethylbenzyl)oxy-N-(2-ketoazepan-3-yl)pyrimidine-5-carboxamide Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)COC2=NC=C(C=N2)C(=O)NC3CCCCNC3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)COC2=NC=C(C=N2)C(=O)NC3CCCCNC3=O)C

InChI

InChI=1S/C20H24N4O3/c1-13-6-7-15(9-14(13)2)12-27-20-22-10-16(11-23-20)18(25)24-17-5-3-4-8-21-19(17)26/h6-7,9-11,17H,3-5,8,12H2,1-2H3,(H,21,26)(H,24,25)