7-(2,2-dimethylpropyl)-6-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Systemtic Name: 7-(2,2-dimethylpropyl)-6-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 7-(2,2-dimethylpropyl)-6-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile CAS Name: 7-(2,2-dimethylpropyl)-6-[(4-methoxyphenyl)methyl]-2-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 7-(2,2-dimethylpropyl)-6-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 7-neopentyl-6-p-anisyl-pyrrolo[2,3-d]pyrimidine-2-carbonitrile Formula: C20H22N4O MolecularWeight: 334.41488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O/c1-20(2,3)13-24-16(9-14-5-7-17(25-4)8-6-14)10-15-12-22-18(11-21)23-19(15)24/h5-8,10,12H,9,13H2,1-4H3