N3-[4-(1,3-benzothiazol-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine

Systemtic Name: N3-[4-(1,3-benzothiazol-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Openeye Name: N3-[4-(1,3-benzothiazol-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine CAS Name: N3-[4-(1,3-benzothiazol-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine IUPAC Name: 3-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Traditional Name: (4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-[4-(1,3-benzothiazol-2-yl)phenyl]amine Formula: C18H13N7S MolecularWeight: 359.40772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC4=C5C(=NC=NC5=NN4)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC4=C5C(=NC=NC5=NN4)N

InChI

InChI=1S/C18H13N7S/c19-15-14-16(21-9-20-15)24-25-17(14)22-11-7-5-10(6-8-11)18-23-12-3-1-2-4-13(12)26-18/h1-9H,(H4,19,20,21,22,24,25)