propan-2-yl 6-[3-(butanoylamino)phenyl]-3-ethyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 6-[3-(butanoylamino)phenyl]-3-ethyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 6-[3-(butanoylamino)phenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-2-oxo-6-[3-(1-oxobutylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[3-(butanoylamino)phenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-butyramidophenyl)-3-ethyl-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CC)C)C(=O)OC(C)C

Isomeric SMILES

CCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CC)C)C(=O)OC(C)C

InChI

InChI=1S/C21H29N3O4/c1-6-9-17(25)22-16-11-8-10-15(12-16)19-18(20(26)28-13(3)4)14(5)24(7-2)21(27)23-19/h8,10-13,19H,6-7,9H2,1-5H3,(H,22,25)(H,23,27)