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

Systemtic Name: 3-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-ethoxy-6-phenylmethoxy-phenyl]phenol Openeye Name: 3-[2-benzyloxy-4-[(2,4-diaminopyrimidin-5-yl)methyl]-6-ethoxy-phenyl]phenol CAS Name: 3-[4-[(2,4-diamino-5-pyrimidinyl)methyl]-2-ethoxy-6-phenylmethoxyphenyl]phenol IUPAC Name: 3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethoxy-6-phenylmethoxyphenyl]phenol Traditional Name: 3-[2-benzoxy-4-[(2,4-diaminopyrimidin-5-yl)methyl]-6-ethoxy-phenyl]phenol Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC(=CC=C2)O)OCC3=CC=CC=C3)CC4=CN=C(N=C4N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC(=CC=C2)O)OCC3=CC=CC=C3)CC4=CN=C(N=C4N)N

InChI

InChI=1S/C26H26N4O3/c1-2-32-22-12-18(11-20-15-29-26(28)30-25(20)27)13-23(33-16-17-7-4-3-5-8-17)24(22)19-9-6-10-21(31)14-19/h3-10,12-15,31H,2,11,16H2,1H3,(H4,27,28,29,30)