ethyl 4-[(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)methyl]-6-(3,4-dichlorophenyl)-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)methyl]-6-(3,4-dichlorophenyl)-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]methyl]-6-(3,4-dichlorophenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]methyl]-6-(3,4-dichlorophenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-(3,4-dichlorophenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(cyclopropanecarbonyl)-3-methyl-piperazino]methyl]-6-(3,4-dichlorophenyl)-3-ethyl-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H32Cl2N4O4 MolecularWeight: 523.45198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCC)CN3CCN(C(C3)C)C(=O)C4CC4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCC)CN3CCN(C(C3)C)C(=O)C4CC4

InChI

InChI=1S/C25H32Cl2N4O4/c1-4-30-20(14-29-10-11-31(15(3)13-29)23(32)16-6-7-16)21(24(33)35-5-2)22(28-25(30)34)17-8-9-18(26)19(27)12-17/h8-9,12,15-16,22H,4-7,10-11,13-14H2,1-3H3,(H,28,34)