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

Systemtic Name: 2-[[4-azanyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]propane-1,3-diol Openeye Name: 2-[[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]propane-1,3-diol CAS Name: 2-[[4-amino-5-(3-methoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]methyl]propane-1,3-diol IUPAC Name: 2-[[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]propane-1,3-diol Traditional Name: 2-[[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]propane-1,3-diol Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)CC(CO)CO

Isomeric SMILES

COC1=CC=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)CC(CO)CO

InChI

InChI=1S/C17H20N4O3/c1-24-13-4-2-3-12(5-13)14-7-21(6-11(8-22)9-23)17-15(14)16(18)19-10-20-17/h2-5,7,10-11,22-23H,6,8-9H2,1H3,(H2,18,19,20)