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

Systemtic Name: 3-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-diethoxy-phenyl]phenol Openeye Name: 3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxy-phenyl]phenol CAS Name: 3-[4-[(2,4-diamino-5-pyrimidinyl)methyl]-2,6-diethoxyphenyl]phenol IUPAC Name: 3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxyphenyl]phenol Traditional Name: 3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxy-phenyl]phenol Formula: C21H24N4O3 MolecularWeight: 380.44026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c1-3-27-17-9-13(8-15-12-24-21(23)25-20(15)22)10-18(28-4-2)19(17)14-6-5-7-16(26)11-14/h5-7,9-12,26H,3-4,8H2,1-2H3,(H4,22,23,24,25)