6-methylsulfanyl-N-(phenylmethyl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 6-methylsulfanyl-N-(phenylmethyl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-benzyl-1-isopropyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 6-(methylthio)-N-(phenylmethyl)-1-propan-2-yl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-benzyl-6-methylsulfanyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: benzyl-[1-isopropyl-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C16H19N5S MolecularWeight: 313.42056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=NC(=N2)SC)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=NC(=N2)SC)NCC3=CC=CC=C3

InChI

InChI=1S/C16H19N5S/c1-11(2)21-15-13(10-18-21)14(19-16(20-15)22-3)17-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,17,19,20)