1-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea

Systemtic Name: 1-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea Openeye Name: 1-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-3-[2-(2-thienyl)ethyl]urea CAS Name: 1-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-3-(2-thiophen-2-ylethyl)urea IUPAC Name: 1-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea Traditional Name: 1-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-3-[2-(2-thienyl)ethyl]urea Formula: C19H18N6OS2 MolecularWeight: 410.51582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NCCC2=CC=CS2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NCCC2=CC=CS2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C19H18N6OS2/c26-19(20-7-6-15-5-2-8-27-15)24-14-4-1-3-13(9-14)11-28-18-16-10-23-25-17(16)21-12-22-18/h1-5,8-10,12H,6-7,11H2,(H2,20,24,26)(H,21,22,23,25)