2-[4-azanyl-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-azanyl-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-amino-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-amino-5-(3-methoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-amino-5-(3-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-amino-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-pyrrolidino-ethanone Formula: C19H22N6O2S MolecularWeight: 398.48198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)N3CCCC3)C4=CC(=CC=C4)OC)N

Isomeric SMILES

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)N3CCCC3)C4=CC(=CC=C4)OC)N

InChI

InChI=1S/C19H22N6O2S/c1-12-16-17(20)25(13-6-5-7-14(10-13)27-2)19(21-18(16)23-22-12)28-11-15(26)24-8-3-4-9-24/h5-7,10H,3-4,8-9,11,20H2,1-2H3