5-(aminomethyl)-4-[2,4-bis(fluoranyl)phenyl]-N-[3-(4-cyano-4-phenyl-piperidin-1-yl)propyl]-6-ethyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxamide

Systemtic Name: 5-(aminomethyl)-4-[2,4-bis(fluoranyl)phenyl]-N-[3-(4-cyano-4-phenyl-piperidin-1-yl)propyl]-6-ethyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxamide Openeye Name: 5-(aminomethyl)-N-[3-(4-cyano-4-phenyl-1-piperidyl)propyl]-4-(2,4-difluorophenyl)-6-ethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide CAS Name: 5-(aminomethyl)-N-[3-(4-cyano-4-phenyl-1-piperidinyl)propyl]-4-(2,4-difluorophenyl)-6-ethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide IUPAC Name: 5-(aminomethyl)-N-[3-(4-cyano-4-phenylpiperidin-1-yl)propyl]-4-(2,4-difluorophenyl)-6-ethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide Traditional Name: 5-(aminomethyl)-N-[3-(4-cyano-4-phenyl-piperidino)propyl]-4-(2,4-difluorophenyl)-6-ethyl-2-keto-1,4-dihydropyrimidine-3-carboxamide Formula: C29H34F2N6O2 MolecularWeight: 536.616066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCC(CC2)(C#N)C3=CC=CC=C3)C4=C(C=C(C=C4)F)F)CN

Isomeric SMILES

CCC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCC(CC2)(C#N)C3=CC=CC=C3)C4=C(C=C(C=C4)F)F)CN

InChI

InChI=1S/C29H34F2N6O2/c1-2-25-23(18-32)26(22-10-9-21(30)17-24(22)31)37(28(39)35-25)27(38)34-13-6-14-36-15-11-29(19-33,12-16-36)20-7-4-3-5-8-20/h3-5,7-10,17,26H,2,6,11-16,18,32H2,1H3,(H,34,38)(H,35,39)