methyl 6-[4-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-[4-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-[4-[(3-chloro-2,2-dimethyl-propanoyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[(3-chloro-2,2-dimethyl-1-oxopropyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(3-chloro-2,2-dimethyl-propanoyl)amino]phenyl]-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H28ClN3O4 MolecularWeight: 421.91772

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)NC(=O)C(C)(C)CCl)C(=O)OC)C

Isomeric SMILES

CCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)NC(=O)C(C)(C)CCl)C(=O)OC)C

InChI

InChI=1S/C21H28ClN3O4/c1-6-11-25-13(2)16(18(26)29-5)17(24-20(25)28)14-7-9-15(10-8-14)23-19(27)21(3,4)12-22/h7-10,17H,6,11-12H2,1-5H3,(H,23,27)(H,24,28)