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

Systemtic Name: 3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-(3,4-dipropoxyphenyl)propanamide Openeye Name: 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(3,4-dipropoxyphenyl)propanamide CAS Name: 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(3,4-dipropoxyphenyl)propanamide IUPAC Name: 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(3,4-dipropoxyphenyl)propanamide Traditional Name: N-(3,4-dipropoxyphenyl)-3-(4-keto-2,6-dimethyl-1H-pyrimidin-5-yl)propionamide Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)CCC2=C(NC(=NC2=O)C)C)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)CCC2=C(NC(=NC2=O)C)C)OCCC

InChI

InChI=1S/C21H29N3O4/c1-5-11-27-18-9-7-16(13-19(18)28-12-6-2)24-20(25)10-8-17-14(3)22-15(4)23-21(17)26/h7,9,13H,5-6,8,10-12H2,1-4H3,(H,24,25)(H,22,23,26)