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

Systemtic Name: 2-[4-azanyl-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-[4-amino-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[[4-amino-5-(4-ethylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[4-amino-5-(4-ethylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethylacetamide Traditional Name: 2-[[4-amino-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N,N-diethyl-acetamide Formula: C20H26N6OS MolecularWeight: 398.52504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)N(CC)CC)C)N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)N(CC)CC)C)N

InChI

InChI=1S/C20H26N6OS/c1-5-14-8-10-15(11-9-14)26-18(21)17-13(4)23-24-19(17)22-20(26)28-12-16(27)25(6-2)7-3/h8-11H,5-7,12,21H2,1-4H3