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

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

Isomeric SMILES

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

InChI

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