2-[4-azanyl-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-ethanamide Openeye Name: 2-[4-amino-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-acetamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-butylacetamide IUPAC Name: 2-[4-amino-5-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butylacetamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-butyl-acetamide Formula: C19H24N6O2S MolecularWeight: 400.49786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=NN=C(C2=C(N1C3=CC=C(C=C3)OC)N)C

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=NN=C(C2=C(N1C3=CC=C(C=C3)OC)N)C

InChI

InChI=1S/C19H24N6O2S/c1-4-5-10-21-15(26)11-28-19-22-18-16(12(2)23-24-18)17(20)25(19)13-6-8-14(27-3)9-7-13/h6-9H,4-5,10-11,20H2,1-3H3,(H,21,26)