ethyl 6-(2-chlorophenyl)-4-(1,4-diazepan-1-ylmethyl)-3-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(2-chlorophenyl)-4-(1,4-diazepan-1-ylmethyl)-3-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(2-chlorophenyl)-4-(1,4-diazepan-1-ylmethyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-chlorophenyl)-4-(1,4-diazepan-1-ylmethyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-chlorophenyl)-4-(1,4-diazepan-1-ylmethyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-chlorophenyl)-4-(1,4-diazepan-1-ylmethyl)-2-keto-3-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H27ClN4O3 MolecularWeight: 406.90638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2Cl)C)CN3CCCNCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2Cl)C)CN3CCCNCC3

InChI

InChI=1S/C20H27ClN4O3/c1-3-28-19(26)17-16(13-25-11-6-9-22-10-12-25)24(2)20(27)23-18(17)14-7-4-5-8-15(14)21/h4-5,7-8,18,22H,3,6,9-13H2,1-2H3,(H,23,27)