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

Systemtic Name: N-(3-methoxyphenyl)-6-methylsulfanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-isopropyl-N-(3-methoxyphenyl)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(3-methoxyphenyl)-6-(methylthio)-1-propan-2-yl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(3-methoxyphenyl)-6-methylsulfanyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-isopropyl-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=NC(=N2)SC)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=NC(=N2)SC)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C16H19N5OS/c1-10(2)21-15-13(9-17-21)14(19-16(20-15)23-4)18-11-6-5-7-12(8-11)22-3/h5-10H,1-4H3,(H,18,19,20)