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

Systemtic Name: 1-[2,5-dimethyl-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-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile CAS Name: 1-[2,5-dimethyl-7-[2-(methylthio)-4-propan-2-ylphenyl]-4-pyrrolo[2,3-d]pyrimidinyl]-3-piperidinecarbonitrile IUPAC Name: 1-[2,5-dimethyl-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-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]nipecotonitrile Formula: C24H29N5S MolecularWeight: 419.58556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5S/c1-15(2)19-8-9-20(21(11-19)30-5)29-13-16(3)22-23(26-17(4)27-24(22)29)28-10-6-7-18(12-25)14-28/h8-9,11,13,15,18H,6-7,10,14H2,1-5H3