1-[[4-[4-azanyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-ol

Systemtic Name: 1-[[4-[4-azanyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-ol Openeye Name: 1-[[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-ol CAS Name: 1-[[4-[4-amino-5-(3-methoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]phenyl]methyl]-4-piperidinol IUPAC Name: 1-[[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methyl]piperidin-4-ol Traditional Name: 1-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]benzyl]piperidin-4-ol Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4=CC=C(C=C4)CN5CCC(CC5)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4=CC=C(C=C4)CN5CCC(CC5)O

InChI

InChI=1S/C25H27N5O2/c1-32-21-4-2-3-18(13-21)22-15-30(25-23(22)24(26)27-16-28-25)19-7-5-17(6-8-19)14-29-11-9-20(31)10-12-29/h2-8,13,15-16,20,31H,9-12,14H2,1H3,(H2,26,27,28)