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

Systemtic Name: 1-(1-naphthalen-1-ylethyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea Openeye Name: 1-[1-(1-naphthyl)ethyl]-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea CAS Name: 1-[1-(1-naphthalenyl)ethyl]-3-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]urea IUPAC Name: 1-(1-naphthalen-1-ylethyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea Traditional Name: 1-[1-(1-naphthyl)ethyl]-3-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]urea Formula: C25H22N6OS MolecularWeight: 454.54678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C25H22N6OS/c1-16(20-11-5-8-18-7-2-3-10-21(18)20)29-25(32)30-19-9-4-6-17(12-19)14-33-24-22-13-28-31-23(22)26-15-27-24/h2-13,15-16H,14H2,1H3,(H2,29,30,32)(H,26,27,28,31)