4-[(4-oxidanylcyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-[(4-oxidanylcyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-[(4-hydroxycyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-[(4-hydroxycyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 4-[(4-hydroxycyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-[(4-hydroxycyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC(=NC3=C2C=C(N3)C(=O)O)C4=CC=CC=C4)O

Isomeric SMILES

C1CC(CCC1NC2=NC(=NC3=C2C=C(N3)C(=O)O)C4=CC=CC=C4)O

InChI

InChI=1S/C19H20N4O3/c24-13-8-6-12(7-9-13)20-17-14-10-15(19(25)26)21-18(14)23-16(22-17)11-4-2-1-3-5-11/h1-5,10,12-13,24H,6-9H2,(H,25,26)(H2,20,21,22,23)