7-(2,2-dimethylpropyl)-6-(phenylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Systemtic Name: 7-(2,2-dimethylpropyl)-6-(phenylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 6-benzyl-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile CAS Name: 7-(2,2-dimethylpropyl)-6-(phenylmethyl)-2-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 6-benzyl-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 6-benzyl-7-neopentyl-pyrrolo[2,3-d]pyrimidine-2-carbonitrile Formula: C19H20N4 MolecularWeight: 304.3889

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4/c1-19(2,3)13-23-16(9-14-7-5-4-6-8-14)10-15-12-21-17(11-20)22-18(15)23/h4-8,10,12H,9,13H2,1-3H3