4-azanyl-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-azanyl-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-amino-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-amino-7-cyclopentyl-5-(4-phenoxyphenyl)-6-pyrrolo[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-amino-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-amino-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCC(C1)N2C(=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C24H22N4O3/c25-22-20-19(15-10-12-18(13-11-15)31-17-8-2-1-3-9-17)21(24(29)30)28(16-6-4-5-7-16)23(20)27-14-26-22/h1-3,8-14,16H,4-7H2,(H,29,30)(H2,25,26,27)