ethyl 3-methyl-2-oxidanylidene-6-phenyl-4-[[4-(propan-2-ylcarbamoyl)-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-methyl-2-oxidanylidene-6-phenyl-4-[[4-(propan-2-ylcarbamoyl)-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(isopropylcarbamoyl)-1,4-diazepan-1-yl]methyl]-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-2-oxo-4-[[4-[oxo-(propan-2-ylamino)methyl]-1,4-diazepan-1-yl]methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-oxo-6-phenyl-4-[[4-(propan-2-ylcarbamoyl)-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(isopropylcarbamoyl)-1,4-diazepan-1-yl]methyl]-2-keto-3-methyl-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H35N5O4 MolecularWeight: 457.5658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C)CN3CCCN(CC3)C(=O)NC(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C)CN3CCCN(CC3)C(=O)NC(C)C

InChI

InChI=1S/C24H35N5O4/c1-5-33-22(30)20-19(27(4)23(31)26-21(20)18-10-7-6-8-11-18)16-28-12-9-13-29(15-14-28)24(32)25-17(2)3/h6-8,10-11,17,21H,5,9,12-16H2,1-4H3,(H,25,32)(H,26,31)