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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=CSC=C2)N3C4=C(C=N3)C(=NC=N4)N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=CSC=C2)N3C4=C(C=N3)C(=NC=N4)N

InChI

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