[3-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl] 2-azanylethanoate

Systemtic Name: [3-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl] 2-azanylethanoate Openeye Name: [3-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl] 2-aminoacetate CAS Name: 2-aminoacetic acid [3-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]cyclopentyl] ester IUPAC Name: [3-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl] 2-aminoacetate Traditional Name: 2-aminoacetic acid [3-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl] ester Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)OC(=O)CN

Isomeric SMILES

C1CC(CC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)OC(=O)CN

InChI

InChI=1S/C25H25N5O3/c26-13-22(31)33-20-11-8-17(12-20)30-14-21(23-24(27)28-15-29-25(23)30)16-6-9-19(10-7-16)32-18-4-2-1-3-5-18/h1-7,9-10,14-15,17,20H,8,11-13,26H2,(H2,27,28,29)