ethyl 6-(2-chlorophenyl)-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(2-chlorophenyl)-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(2-chlorophenyl)-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-chlorophenyl)-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-chlorophenyl)-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(2-chlorophenyl)-2-keto-4-[(4-mesyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H31ClN4O5S MolecularWeight: 511.03404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2Cl)CC=C)CN3CCCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2Cl)CC=C)CN3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C23H31ClN4O5S/c1-4-11-28-19(16-26-12-8-13-27(15-14-26)34(3,31)32)20(22(29)33-5-2)21(25-23(28)30)17-9-6-7-10-18(17)24/h4,6-7,9-10,21H,1,5,8,11-16H2,2-3H3,(H,25,30)