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

Systemtic Name: methyl 4-[(4-oxidanylcyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-[(4-hydroxycyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(4-hydroxycyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 4-[(4-hydroxycyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(4-hydroxycyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(N1)N=C(N=C2NC3CCC(CC3)O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(N1)N=C(N=C2NC3CCC(CC3)O)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O3/c1-27-20(26)16-11-15-18(21-13-7-9-14(25)10-8-13)23-17(24-19(15)22-16)12-5-3-2-4-6-12/h2-6,11,13-14,25H,7-10H2,1H3,(H2,21,22,23,24)