N-(3-azanylpropyl)-N-[1-[4-cyano-5-methyl-6-oxidanylidene-1-(phenylmethyl)pyrimidin-2-yl]-2-methyl-propyl]-4-fluoranyl-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[1-[4-cyano-5-methyl-6-oxidanylidene-1-(phenylmethyl)pyrimidin-2-yl]-2-methyl-propyl]-4-fluoranyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(1-benzyl-4-cyano-5-methyl-6-oxo-pyrimidin-2-yl)-2-methyl-propyl]-4-fluoro-benzamide CAS Name: N-(3-aminopropyl)-N-[1-[4-cyano-5-methyl-6-oxo-1-(phenylmethyl)-2-pyrimidinyl]-2-methylpropyl]-4-fluorobenzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(1-benzyl-4-cyano-5-methyl-6-oxopyrimidin-2-yl)-2-methylpropyl]-4-fluorobenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(1-benzyl-4-cyano-6-keto-5-methyl-pyrimidin-2-yl)-2-methyl-propyl]-4-fluoro-benzamide Formula: C27H30FN5O2 MolecularWeight: 475.557803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N(C1=O)CC2=CC=CC=C2)C(C(C)C)N(CCCN)C(=O)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

CC1=C(N=C(N(C1=O)CC2=CC=CC=C2)C(C(C)C)N(CCCN)C(=O)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C27H30FN5O2/c1-18(2)24(32(15-7-14-29)27(35)21-10-12-22(28)13-11-21)25-31-23(16-30)19(3)26(34)33(25)17-20-8-5-4-6-9-20/h4-6,8-13,18,24H,7,14-15,17,29H2,1-3H3