1-(4-nitrophenyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea

Systemtic Name: 1-(4-nitrophenyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea Openeye Name: 1-(4-nitrophenyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea CAS Name: 1-(4-nitrophenyl)-3-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]urea IUPAC Name: 1-(4-nitrophenyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea Traditional Name: 1-(4-nitrophenyl)-3-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]urea Formula: C19H15N7O3S MolecularWeight: 421.4325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C19H15N7O3S/c27-19(23-13-4-6-15(7-5-13)26(28)29)24-14-3-1-2-12(8-14)10-30-18-16-9-22-25-17(16)20-11-21-18/h1-9,11H,10H2,(H2,23,24,27)(H,20,21,22,25)