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

Systemtic Name: 2-[4-azanyl-3-methyl-5-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-morpholin-4-yl-butan-1-one Openeye Name: 2-[4-amino-3-methyl-5-(o-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-morpholino-butan-1-one CAS Name: 2-[[4-amino-3-methyl-5-(2-methylphenyl)-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(4-morpholinyl)-1-butanone IUPAC Name: 2-[4-amino-3-methyl-5-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-morpholin-4-ylbutan-1-one Traditional Name: 2-[[4-amino-3-methyl-5-(o-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-morpholino-butan-1-one Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCOCC1)SC2=NC3=NN=C(C3=C(N2C4=CC=CC=C4C)N)C

Isomeric SMILES

CCC(C(=O)N1CCOCC1)SC2=NC3=NN=C(C3=C(N2C4=CC=CC=C4C)N)C

InChI

InChI=1S/C21H26N6O2S/c1-4-16(20(28)26-9-11-29-12-10-26)30-21-23-19-17(14(3)24-25-19)18(22)27(21)15-8-6-5-7-13(15)2/h5-8,16H,4,9-12,22H2,1-3H3