1-[2,5,6-trimethyl-7-(2-methylsulfanyl-4-propan-2-yl-phenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile

Systemtic Name: 1-[2,5,6-trimethyl-7-(2-methylsulfanyl-4-propan-2-yl-phenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile Openeye Name: 1-[7-(4-isopropyl-2-methylsulfanyl-phenyl)-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile CAS Name: 1-[2,5,6-trimethyl-7-[2-(methylthio)-4-propan-2-ylphenyl]-4-pyrrolo[2,3-d]pyrimidinyl]-3-piperidinecarbonitrile IUPAC Name: 1-[2,5,6-trimethyl-7-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile Traditional Name: 1-[7-[4-isopropyl-2-(methylthio)phenyl]-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]nipecotonitrile Formula: C25H31N5S MolecularWeight: 433.61214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC(=N2)C)N3CCCC(C3)C#N)C4=C(C=C(C=C4)C(C)C)SC)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC(=N2)C)N3CCCC(C3)C#N)C4=C(C=C(C=C4)C(C)C)SC)C

InChI

InChI=1S/C25H31N5S/c1-15(2)20-9-10-21(22(12-20)31-6)30-17(4)16(3)23-24(27-18(5)28-25(23)30)29-11-7-8-19(13-26)14-29/h9-10,12,15,19H,7-8,11,14H2,1-6H3