methyl 4-[3,4-bis(fluoranyl)phenyl]-3-[3-[4-(2-methoxycarbonylphenyl)piperazin-1-yl]propylcarbamoyl]-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-[3,4-bis(fluoranyl)phenyl]-3-[3-[4-(2-methoxycarbonylphenyl)piperazin-1-yl]propylcarbamoyl]-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-(3,4-difluorophenyl)-3-[3-[4-(2-methoxycarbonylphenyl)piperazin-1-yl]propylcarbamoyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3,4-difluorophenyl)-3-[[3-[4-(2-methoxycarbonylphenyl)-1-piperazinyl]propylamino]-oxomethyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(3,4-difluorophenyl)-3-[3-[4-(2-methoxycarbonylphenyl)piperazin-1-yl]propylcarbamoyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3-[4-(2-carbomethoxyphenyl)piperazino]propylcarbamoyl]-4-(3,4-difluorophenyl)-2-keto-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C29H33F2N5O6 MolecularWeight: 585.599026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3C(=O)OC)C4=CC(=C(C=C4)F)F)C(=O)OC

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3C(=O)OC)C4=CC(=C(C=C4)F)F)C(=O)OC

InChI

InChI=1S/C29H33F2N5O6/c1-18-24(27(38)42-3)25(19-9-10-21(30)22(31)17-19)36(29(40)33-18)28(39)32-11-6-12-34-13-15-35(16-14-34)23-8-5-4-7-20(23)26(37)41-2/h4-5,7-10,17,25H,6,11-16H2,1-3H3,(H,32,39)(H,33,40)