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

Systemtic Name: ethyl 6-(3,4-dichlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(3,4-dichlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3,4-dichlorophenyl)-4-[(4-methylsulfonyl-1-piperazinyl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3,4-dichlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(3,4-dichlorophenyl)-2-keto-4-[(4-mesylpiperazino)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H28Cl2N4O5S MolecularWeight: 531.45252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C=C2)Cl)Cl)CC=C)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C=C2)Cl)Cl)CC=C)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H28Cl2N4O5S/c1-4-8-28-18(14-26-9-11-27(12-10-26)34(3,31)32)19(21(29)33-5-2)20(25-22(28)30)15-6-7-16(23)17(24)13-15/h4,6-7,13,20H,1,5,8-12,14H2,2-3H3,(H,25,30)