N3-[3-[4-(2-aminocarbonylphenyl)piperazin-1-yl]propyl]-4-[2,4-bis(fluoranyl)phenyl]-6-ethyl-2-oxidanylidene-1,4-dihydropyrimidine-3,5-dicarboxamide

Systemtic Name: N3-[3-[4-(2-aminocarbonylphenyl)piperazin-1-yl]propyl]-4-[2,4-bis(fluoranyl)phenyl]-6-ethyl-2-oxidanylidene-1,4-dihydropyrimidine-3,5-dicarboxamide Openeye Name: N3-[3-[4-(2-carbamoylphenyl)piperazin-1-yl]propyl]-4-(2,4-difluorophenyl)-6-ethyl-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxamide CAS Name: N3-[3-[4-(2-carbamoylphenyl)-1-piperazinyl]propyl]-4-(2,4-difluorophenyl)-6-ethyl-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxamide IUPAC Name: 3-N-[3-[4-(2-carbamoylphenyl)piperazin-1-yl]propyl]-4-(2,4-difluorophenyl)-6-ethyl-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxamide Traditional Name: N-[3-[4-(2-carbamoylphenyl)piperazino]propyl]-4-(2,4-difluorophenyl)-6-ethyl-2-keto-1,4-dihydropyrimidine-3,5-dicarboxamide Formula: C28H33F2N7O4 MolecularWeight: 569.602926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3C(=O)N)C4=C(C=C(C=C4)F)F)C(=O)N

Isomeric SMILES

CCC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3C(=O)N)C4=C(C=C(C=C4)F)F)C(=O)N

InChI

InChI=1S/C28H33F2N7O4/c1-2-21-23(26(32)39)24(18-9-8-17(29)16-20(18)30)37(28(41)34-21)27(40)33-10-5-11-35-12-14-36(15-13-35)22-7-4-3-6-19(22)25(31)38/h3-4,6-9,16,24H,2,5,10-15H2,1H3,(H2,31,38)(H2,32,39)(H,33,40)(H,34,41)