N2-(1,3-benzothiazol-2-yl)-9-(2-methylpropyl)-8-pyrazol-1-yl-purine-2,6-diamine

Systemtic Name: N2-(1,3-benzothiazol-2-yl)-9-(2-methylpropyl)-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: N2-(1,3-benzothiazol-2-yl)-9-isobutyl-8-pyrazol-1-yl-purine-2,6-diamine CAS Name: N2-(1,3-benzothiazol-2-yl)-9-(2-methylpropyl)-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 2-N-(1,3-benzothiazol-2-yl)-9-(2-methylpropyl)-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: (6-amino-9-isobutyl-8-pyrazol-1-yl-purin-2-yl)-(1,3-benzothiazol-2-yl)amine Formula: C19H19N9S MolecularWeight: 405.47946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=NC(=N2)NC3=NC4=CC=CC=C4S3)N)N=C1N5C=CC=N5

Isomeric SMILES

CC(C)CN1C2=C(C(=NC(=N2)NC3=NC4=CC=CC=C4S3)N)N=C1N5C=CC=N5

InChI

InChI=1S/C19H19N9S/c1-11(2)10-27-16-14(23-19(27)28-9-5-8-21-28)15(20)24-17(25-16)26-18-22-12-6-3-4-7-13(12)29-18/h3-9,11H,10H2,1-2H3,(H3,20,22,24,25,26)