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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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