2-[1-[7-(4-methoxy-2,6-dimethyl-phenyl)-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethanenitrile

Systemtic Name: 2-[1-[7-(4-methoxy-2,6-dimethyl-phenyl)-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethanenitrile Openeye Name: 2-[1-[7-(4-methoxy-2,6-dimethyl-phenyl)-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidyl]acetonitrile CAS Name: 2-[1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethyl-4-pyrrolo[2,3-d]pyrimidinyl]-4-piperidinyl]acetonitrile IUPAC Name: 2-[1-[7-(4-methoxy-2,6-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetonitrile Traditional Name: 2-[1-[7-(4-methoxy-2,6-dimethyl-phenyl)-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidyl]acetonitrile Formula: C25H31N5O MolecularWeight: 417.54654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2C(=C(C3=C2N=C(N=C3N4CCC(CC4)CC#N)C)C)C)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1N2C(=C(C3=C2N=C(N=C3N4CCC(CC4)CC#N)C)C)C)C)OC

InChI

InChI=1S/C25H31N5O/c1-15-13-21(31-6)14-16(2)23(15)30-18(4)17(3)22-24(27-19(5)28-25(22)30)29-11-8-20(7-10-26)9-12-29/h13-14,20H,7-9,11-12H2,1-6H3