1-[3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-2-yl-urea

Systemtic Name: 1-[3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-2-yl-urea Openeye Name: 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-thienyl)urea CAS Name: 1-[3-(4-amino-1-pyrazolo[3,4-d]pyrimidinyl)phenyl]-3-thiophen-2-ylurea IUPAC Name: 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-2-ylurea Traditional Name: 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-thienyl)urea Formula: C16H13N7OS MolecularWeight: 351.38572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC=CS2)N3C4=C(C=N3)C(=NC=N4)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=CS2)N3C4=C(C=N3)C(=NC=N4)N

InChI

InChI=1S/C16H13N7OS/c17-14-12-8-20-23(15(12)19-9-18-14)11-4-1-3-10(7-11)21-16(24)22-13-5-2-6-25-13/h1-9H,(H2,17,18,19)(H2,21,22,24)