6-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-5-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-5-(4-methoxyphenyl)-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-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H17N7O3S MolecularWeight: 411.43768

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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)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C18H17N7O3S/c1-10-7-14(19)23-25(10)15(26)9-29-18-21-16-13(8-20-22-16)17(27)24(18)11-3-5-12(28-2)6-4-11/h3-8H,9H2,1-2H3,(H2,19,23)(H,20,22)