6-[4-(ethylamino)pyridin-2-yl]-5-(4-fluorophenyl)-3-methyl-2-(3-phenylpropylamino)pyrimidin-4-one

Systemtic Name: 6-[4-(ethylamino)pyridin-2-yl]-5-(4-fluorophenyl)-3-methyl-2-(3-phenylpropylamino)pyrimidin-4-one Openeye Name: 6-[4-(ethylamino)-2-pyridyl]-5-(4-fluorophenyl)-3-methyl-2-(3-phenylpropylamino)pyrimidin-4-one CAS Name: 6-[4-(ethylamino)-2-pyridinyl]-5-(4-fluorophenyl)-3-methyl-2-(3-phenylpropylamino)-4-pyrimidinone IUPAC Name: 6-[4-(ethylamino)pyridin-2-yl]-5-(4-fluorophenyl)-3-methyl-2-(3-phenylpropylamino)pyrimidin-4-one Traditional Name: 6-[4-(ethylamino)-2-pyridyl]-5-(4-fluorophenyl)-3-methyl-2-(3-phenylpropylamino)pyrimidin-4-one Formula: C27H28FN5O MolecularWeight: 457.542523

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=NC=C1)C2=C(C(=O)N(C(=N2)NCCCC3=CC=CC=C3)C)C4=CC=C(C=C4)F

Isomeric SMILES

CCNC1=CC(=NC=C1)C2=C(C(=O)N(C(=N2)NCCCC3=CC=CC=C3)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H28FN5O/c1-3-29-22-15-17-30-23(18-22)25-24(20-11-13-21(28)14-12-20)26(34)33(2)27(32-25)31-16-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-15,17-18H,3,7,10,16H2,1-2H3,(H,29,30)(H,31,32)