5-cyclopropyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]-3-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 5-cyclopropyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]-3-(phenylmethyl)pyrimidin-4-one Openeye Name: 3-benzyl-5-cyclopropyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]pyrimidin-4-one CAS Name: 5-cyclopropyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]-3-(phenylmethyl)-4-pyrimidinone IUPAC Name: 3-benzyl-5-cyclopropyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]pyrimidin-4-one Traditional Name: 3-benzyl-5-cyclopropyl-2-[1-[(4-fluorobenzyl)-[2-(methylamino)ethyl]amino]propyl]pyrimidin-4-one Formula: C27H33FN4O MolecularWeight: 448.575523

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC=C(C(=O)N1CC2=CC=CC=C2)C3CC3)N(CCNC)CC4=CC=C(C=C4)F

Isomeric SMILES

CCC(C1=NC=C(C(=O)N1CC2=CC=CC=C2)C3CC3)N(CCNC)CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H33FN4O/c1-3-25(31(16-15-29-2)18-21-9-13-23(28)14-10-21)26-30-17-24(22-11-12-22)27(33)32(26)19-20-7-5-4-6-8-20/h4-10,13-14,17,22,25,29H,3,11-12,15-16,18-19H2,1-2H3