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

Systemtic Name: 2-[4-azanyl-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 2-[4-amino-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-butan-1-one CAS Name: 2-[[4-amino-5-(4-ethylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 2-[4-amino-5-(4-ethylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 2-[[4-amino-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-pyrrolidino-butan-1-one Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=C3C(=NN=C3N=C2SC(CC)C(=O)N4CCCC4)C)N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C3C(=NN=C3N=C2SC(CC)C(=O)N4CCCC4)C)N

InChI

InChI=1S/C22H28N6OS/c1-4-15-8-10-16(11-9-15)28-19(23)18-14(3)25-26-20(18)24-22(28)30-17(5-2)21(29)27-12-6-7-13-27/h8-11,17H,4-7,12-13,23H2,1-3H3