N-(3-methylbutyl)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(3-methylbutyl)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-isopentyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-(3-methylbutyl)-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-(3-methylbutyl)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: isoamyl-[2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C12H18N4S MolecularWeight: 250.36312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=NC2=C1C=CN2)SC

Isomeric SMILES

CC(C)CCNC1=NC(=NC2=C1C=CN2)SC

InChI

InChI=1S/C12H18N4S/c1-8(2)4-6-13-10-9-5-7-14-11(9)16-12(15-10)17-3/h5,7-8H,4,6H2,1-3H3,(H2,13,14,15,16)