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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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