6-[(4-chlorophenyl)methyl]-7-(2-ethyl-2-methyl-butyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Systemtic Name: 6-[(4-chlorophenyl)methyl]-7-(2-ethyl-2-methyl-butyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 6-[(4-chlorophenyl)methyl]-7-(2-ethyl-2-methyl-butyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile CAS Name: 6-[(4-chlorophenyl)methyl]-7-(2-ethyl-2-methylbutyl)-2-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 6-[(4-chlorophenyl)methyl]-7-(2-ethyl-2-methylbutyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 6-(4-chlorobenzyl)-7-(2-ethyl-2-methyl-butyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Formula: C21H23ClN4 MolecularWeight: 366.88712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)CN1C(=CC2=CN=C(N=C21)C#N)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)(CC)CN1C(=CC2=CN=C(N=C21)C#N)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN4/c1-4-21(3,5-2)14-26-18(10-15-6-8-17(22)9-7-15)11-16-13-24-19(12-23)25-20(16)26/h6-9,11,13H,4-5,10,14H2,1-3H3