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

Systemtic Name: ethyl 6-[4-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]phenyl]-2-oxidanylidene-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[4-[(3-chloro-4-methyl-phenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(3-chloro-4-methylanilino)-oxomethyl]amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(3-chloro-4-methylphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(3-chloro-4-methyl-phenyl)carbamoylamino]phenyl]-2-keto-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C30H31ClN4O4 MolecularWeight: 547.04454

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)C)Cl)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)C)Cl)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C30H31ClN4O4/c1-4-17-35-27(21-9-7-6-8-10-21)25(28(36)39-5-2)26(34-30(35)38)20-12-15-22(16-13-20)32-29(37)33-23-14-11-19(3)24(31)18-23/h6-16,18,26H,4-5,17H2,1-3H3,(H,34,38)(H2,32,33,37)