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

Systemtic Name: 2-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propane-1,3-diol Openeye Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propane-1,3-diol CAS Name: 2-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]propane-1,3-diol IUPAC Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propane-1,3-diol Traditional Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propane-1,3-diol Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)C(CO)CO

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)C(CO)CO

InChI

InChI=1S/C21H20N4O3/c22-20-19-18(10-25(15(11-26)12-27)21(19)24-13-23-20)14-6-8-17(9-7-14)28-16-4-2-1-3-5-16/h1-10,13,15,26-27H,11-12H2,(H2,22,23,24)