3-[4-azanyl-7-[1-(4-methoxyphenyl)-3-oxidanyl-propan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol

Systemtic Name: 3-[4-azanyl-7-[1-(4-methoxyphenyl)-3-oxidanyl-propan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol Openeye Name: 3-[4-amino-7-[1-(hydroxymethyl)-2-(4-methoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol CAS Name: 3-[4-amino-7-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]-5-pyrrolo[2,3-d]pyrimidinyl]phenol IUPAC Name: 3-[4-amino-7-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol Traditional Name: 3-[4-amino-7-[2-(4-methoxyphenyl)-1-methylol-ethyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CO)N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)CC(CO)N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)O

InChI

InChI=1S/C22H22N4O3/c1-29-18-7-5-14(6-8-18)9-16(12-27)26-11-19(15-3-2-4-17(28)10-15)20-21(23)24-13-25-22(20)26/h2-8,10-11,13,16,27-28H,9,12H2,1H3,(H2,23,24,25)