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

Systemtic Name: 2-[4-azanyl-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[4-amino-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[4-amino-5-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NC3=CC(=CC=C3)OC)C4=CC=C(C=C4)OC)N

Isomeric SMILES

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NC3=CC(=CC=C3)OC)C4=CC=C(C=C4)OC)N

InChI

InChI=1S/C22H22N6O3S/c1-13-19-20(23)28(15-7-9-16(30-2)10-8-15)22(25-21(19)27-26-13)32-12-18(29)24-14-5-4-6-17(11-14)31-3/h4-11H,12,23H2,1-3H3,(H,24,29)