1-[4-[(4-oxidanylcyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanone

Systemtic Name: 1-[4-[(4-oxidanylcyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanone Openeye Name: 1-[4-[(4-hydroxycyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanone CAS Name: 1-[4-[(4-hydroxycyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanone IUPAC Name: 1-[4-[(4-hydroxycyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanone Traditional Name: 1-[4-[(4-hydroxycyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanone Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2/c1-12(25)17-11-16-19(21-14-7-9-15(26)10-8-14)23-18(24-20(16)22-17)13-5-3-2-4-6-13/h2-6,11,14-15,26H,7-10H2,1H3,(H2,21,22,23,24)