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

Systemtic Name: 7-(3-methylbutyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 7-isopentyl-6-(2-thienylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile CAS Name: 7-(3-methylbutyl)-6-(thiophen-2-ylmethyl)-2-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 7-(3-methylbutyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 7-isoamyl-6-(2-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)CCN1C(=CC2=CN=C(N=C21)C#N)CC3=CC=CS3

Isomeric SMILES

CC(C)CCN1C(=CC2=CN=C(N=C21)C#N)CC3=CC=CS3

InChI

InChI=1S/C17H18N4S/c1-12(2)5-6-21-14(9-15-4-3-7-22-15)8-13-11-19-16(10-18)20-17(13)21/h3-4,7-8,11-12H,5-6,9H2,1-2H3