5-(4-chloranyl-3-methyl-phenyl)-3-methyl-6-[(3-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 5-(4-chloranyl-3-methyl-phenyl)-3-methyl-6-[(3-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 5-(4-chloro-3-methyl-phenyl)-3-methyl-6-[(3-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 5-(4-chloro-3-methylphenyl)-3-methyl-6-[(3-nitrophenyl)methylthio]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 5-(4-chloro-3-methylphenyl)-3-methyl-6-[(3-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [5-(4-chloro-3-methyl-phenyl)-3-methyl-6-[(3-nitrobenzyl)thio]pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C20H17ClN6O2S MolecularWeight: 440.90598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=C3C(=NN=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-])C)N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=C3C(=NN=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-])C)N)Cl

InChI

InChI=1S/C20H17ClN6O2S/c1-11-8-14(6-7-16(11)21)26-18(22)17-12(2)24-25-19(17)23-20(26)30-10-13-4-3-5-15(9-13)27(28)29/h3-9H,10,22H2,1-2H3