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

Systemtic Name: 1-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-3-pyridin-3-yl-urea Openeye Name: 1-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-3-(3-pyridyl)urea CAS Name: 1-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-3-(3-pyridinyl)urea IUPAC Name: 1-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-3-pyridin-3-ylurea Traditional Name: 1-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-3-(3-pyridyl)urea Formula: C18H15N7OS MolecularWeight: 377.423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CN=CC=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CN=CC=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C18H15N7OS/c26-18(24-14-5-2-6-19-8-14)23-13-4-1-3-12(7-13)10-27-17-15-9-22-25-16(15)20-11-21-17/h1-9,11H,10H2,(H2,23,24,26)(H,20,21,22,25)