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

Systemtic Name: 7-(2,2-dimethylpropyl)-6-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 7-(2,2-dimethylpropyl)-6-(3-thienylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile CAS Name: 7-(2,2-dimethylpropyl)-6-(3-thiophenylmethyl)-2-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 7-(2,2-dimethylpropyl)-6-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 7-neopentyl-6-(3-thenyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Formula: C17H18N4S MolecularWeight: 310.41662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4S/c1-17(2,3)11-21-14(6-12-4-5-22-10-12)7-13-9-19-15(8-18)20-16(13)21/h4-5,7,9-10H,6,11H2,1-3H3