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

Systemtic Name: 2-[4-azanyl-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclohexyl-butanamide Openeye Name: 2-[4-amino-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclohexyl-butanamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-cyclohexylbutanamide IUPAC Name: 2-[4-amino-5-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclohexylbutanamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-cyclohexyl-butyramide Formula: C23H30N6O2S MolecularWeight: 454.5883

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1CCCCC1)SC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)OC)N)C

Isomeric SMILES

CCC(C(=O)NC1CCCCC1)SC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)OC)N)C

InChI

InChI=1S/C23H30N6O2S/c1-4-18(22(30)25-15-8-6-5-7-9-15)32-23-26-21-19(14(2)27-28-21)20(24)29(23)16-10-12-17(31-3)13-11-16/h10-13,15,18H,4-9,24H2,1-3H3,(H,25,30)