5-(3-chloranyl-2-methyl-phenyl)-3-methyl-6-[(3-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 5-(3-chloranyl-2-methyl-phenyl)-3-methyl-6-[(3-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 5-(3-chloro-2-methyl-phenyl)-3-methyl-6-[(3-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 5-(3-chloro-2-methylphenyl)-3-methyl-6-[(3-nitrophenyl)methylthio]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 5-(3-chloro-2-methylphenyl)-3-methyl-6-[(3-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [5-(3-chloro-2-methyl-phenyl)-3-methyl-6-[(3-nitrobenzyl)thio]pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C20H17ClN6O2S MolecularWeight: 440.90598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=C3C(=NN=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-])C)N

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=C3C(=NN=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-])C)N

InChI

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