7-cyclohexyl-6-[[4-(diethylaminomethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Systemtic Name: 7-cyclohexyl-6-[[4-(diethylaminomethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 7-cyclohexyl-6-[[4-(diethylaminomethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile CAS Name: 7-cyclohexyl-6-[[4-(diethylaminomethyl)phenyl]methyl]-2-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 7-cyclohexyl-6-[[4-(diethylaminomethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 7-cyclohexyl-6-[4-(diethylaminomethyl)benzyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile Formula: C25H31N5 MolecularWeight: 401.54714

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CC2=CC3=CN=C(N=C3N2C4CCCCC4)C#N

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CC2=CC3=CN=C(N=C3N2C4CCCCC4)C#N

InChI

InChI=1S/C25H31N5/c1-3-29(4-2)18-20-12-10-19(11-13-20)14-23-15-21-17-27-24(16-26)28-25(21)30(23)22-8-6-5-7-9-22/h10-13,15,17,22H,3-9,14,18H2,1-2H3