4-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-diethoxy-phenyl]-2-methyl-phenol

Systemtic Name: 4-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-diethoxy-phenyl]-2-methyl-phenol Openeye Name: 4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxy-phenyl]-2-methyl-phenol CAS Name: 4-[4-[(2,4-diamino-5-pyrimidinyl)methyl]-2,6-diethoxyphenyl]-2-methylphenol IUPAC Name: 4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxyphenyl]-2-methylphenol Traditional Name: 4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxy-phenyl]-2-methyl-phenol Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC(=C(C=C2)O)C)OCC)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC(=C(C=C2)O)C)OCC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C22H26N4O3/c1-4-28-18-10-14(9-16-12-25-22(24)26-21(16)23)11-19(29-5-2)20(18)15-6-7-17(27)13(3)8-15/h6-8,10-12,27H,4-5,9H2,1-3H3,(H4,23,24,25,26)