6-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-5-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-5-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-5-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-5-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H14BrN7O2S MolecularWeight: 460.30776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Br)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Br)N

InChI

InChI=1S/C17H14BrN7O2S/c1-9-6-13(19)23-25(9)14(26)8-28-17-21-15-12(7-20-22-15)16(27)24(17)11-4-2-10(18)3-5-11/h2-7H,8H2,1H3,(H2,19,23)(H,20,22)