2-[[4-azanyl-5-(4-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]propane-1,3-diol

Systemtic Name: 2-[[4-azanyl-5-(4-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]propane-1,3-diol Openeye Name: 2-[[4-amino-5-(4-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]propane-1,3-diol CAS Name: 2-[[4-amino-5-(4-hydroxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]methyl]propane-1,3-diol IUPAC Name: 2-[[4-amino-5-(4-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]propane-1,3-diol Traditional Name: 2-[[4-amino-5-(4-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]propane-1,3-diol Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN(C3=C2C(=NC=N3)N)CC(CO)CO)O

Isomeric SMILES

C1=CC(=CC=C1C2=CN(C3=C2C(=NC=N3)N)CC(CO)CO)O

InChI

InChI=1S/C16H18N4O3/c17-15-14-13(11-1-3-12(23)4-2-11)6-20(5-10(7-21)8-22)16(14)19-9-18-15/h1-4,6,9-10,21-23H,5,7-8H2,(H2,17,18,19)