N-butyl-6-methyl-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-butyl-6-methyl-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-butyl-6-methyl-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-butyl-6-methyl-1-(4-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-butyl-6-methyl-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: butyl-[6-methyl-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C16H18N6O2 MolecularWeight: 326.35312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1C=NN2C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCCNC1=NC(=NC2=C1C=NN2C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N6O2/c1-3-4-9-17-15-14-10-18-21(16(14)20-11(2)19-15)12-5-7-13(8-6-12)22(23)24/h5-8,10H,3-4,9H2,1-2H3,(H,17,19,20)