6-methyl-5-(3-methylbutyl)-2-[(4-phenoxyphenyl)amino]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-(3-methylbutyl)-2-[(4-phenoxyphenyl)amino]-1H-pyrimidin-4-one Openeye Name: 5-isopentyl-6-methyl-2-(4-phenoxyanilino)-1H-pyrimidin-4-one CAS Name: 6-methyl-5-(3-methylbutyl)-2-(4-phenoxyanilino)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-(3-methylbutyl)-2-(4-phenoxyanilino)-1H-pyrimidin-4-one Traditional Name: 5-isoamyl-6-methyl-2-(4-phenoxyanilino)-1H-pyrimidin-4-one Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)OC3=CC=CC=C3)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)OC3=CC=CC=C3)CCC(C)C

InChI

InChI=1S/C22H25N3O2/c1-15(2)9-14-20-16(3)23-22(25-21(20)26)24-17-10-12-19(13-11-17)27-18-7-5-4-6-8-18/h4-8,10-13,15H,9,14H2,1-3H3,(H2,23,24,25,26)