4-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-methoxy-phenoxy]-1-phenyl-butan-1-one

Systemtic Name: 4-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-methoxy-phenoxy]-1-phenyl-butan-1-one Openeye Name: 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-phenoxy]-1-phenyl-butan-1-one CAS Name: 4-[5-[(2,4-diamino-5-pyrimidinyl)methyl]-2-methoxyphenoxy]-1-phenyl-1-butanone IUPAC Name: 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenoxy]-1-phenylbutan-1-one Traditional Name: 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-phenoxy]-1-phenyl-butan-1-one Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3/c1-28-19-10-9-15(12-17-14-25-22(24)26-21(17)23)13-20(19)29-11-5-8-18(27)16-6-3-2-4-7-16/h2-4,6-7,9-10,13-14H,5,8,11-12H2,1H3,(H4,23,24,25,26)