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

Systemtic Name: 7-(2-methylpropyl)-6-(phenylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 6-benzyl-7-isobutyl-pyrrolo[2,3-d]pyrimidine-2-carbonitrile CAS Name: 7-(2-methylpropyl)-6-(phenylmethyl)-2-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 6-benzyl-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 6-benzyl-7-isobutyl-pyrrolo[2,3-d]pyrimidine-2-carbonitrile Formula: C18H18N4 MolecularWeight: 290.36232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4/c1-13(2)12-22-16(8-14-6-4-3-5-7-14)9-15-11-20-17(10-19)21-18(15)22/h3-7,9,11,13H,8,12H2,1-2H3