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

Systemtic Name: propan-2-yl 3-butyl-6-[3-(2-chloranylpropanoylamino)phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-butyl-6-[3-(2-chloropropanoylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[(2-chloro-1-oxopropyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-butyl-6-[3-(2-chloropropanoylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-(2-chloropropanoylamino)phenyl]-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C22H30ClN3O4 MolecularWeight: 435.9443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C(C)Cl)C(=O)OC(C)C)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C(C)Cl)C(=O)OC(C)C)C

InChI

InChI=1S/C22H30ClN3O4/c1-6-7-11-26-15(5)18(21(28)30-13(2)3)19(25-22(26)29)16-9-8-10-17(12-16)24-20(27)14(4)23/h8-10,12-14,19H,6-7,11H2,1-5H3,(H,24,27)(H,25,29)