3-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-ethoxy-6-propoxy-phenyl]phenol

Systemtic Name: 3-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-ethoxy-6-propoxy-phenyl]phenol Openeye Name: 3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethoxy-6-propoxy-phenyl]phenol CAS Name: 3-[4-[(2,4-diamino-5-pyrimidinyl)methyl]-2-ethoxy-6-propoxyphenyl]phenol IUPAC Name: 3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethoxy-6-propoxyphenyl]phenol Traditional Name: 3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethoxy-6-propoxy-phenyl]phenol Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC(=C1C2=CC(=CC=C2)O)OCC)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCCOC1=CC(=CC(=C1C2=CC(=CC=C2)O)OCC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C22H26N4O3/c1-3-8-29-19-11-14(9-16-13-25-22(24)26-21(16)23)10-18(28-4-2)20(19)15-6-5-7-17(27)12-15/h5-7,10-13,27H,3-4,8-9H2,1-2H3,(H4,23,24,25,26)