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

Systemtic Name: ethyl 6-(2-chlorophenyl)-4-(1,4-diazepan-1-ylmethyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(2-chlorophenyl)-4-(1,4-diazepan-1-ylmethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-chlorophenyl)-4-(1,4-diazepan-1-ylmethyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-chlorophenyl)-4-(1,4-diazepan-1-ylmethyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(2-chlorophenyl)-4-(1,4-diazepan-1-ylmethyl)-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H29ClN4O3 MolecularWeight: 432.94366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN4O3/c1-3-12-27-18(15-26-13-7-10-24-11-14-26)19(21(28)30-4-2)20(25-22(27)29)16-8-5-6-9-17(16)23/h3,5-6,8-9,20,24H,1,4,7,10-15H2,2H3,(H,25,29)