N2-(1,3-benzothiazol-6-yl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine

Systemtic Name: N2-(1,3-benzothiazol-6-yl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine Openeye Name: N2-(1,3-benzothiazol-6-yl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine CAS Name: N2-(1,3-benzothiazol-6-yl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine IUPAC Name: 2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine Traditional Name: 1,3-benzothiazol-6-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amine Formula: C21H17N7S MolecularWeight: 399.47158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)NC3=NC(=NC4=CC=CC=C43)NC5=CC6=C(C=C5)N=CS6

Isomeric SMILES

C1CC1C2=CC(=NN2)NC3=NC(=NC4=CC=CC=C43)NC5=CC6=C(C=C5)N=CS6

InChI

InChI=1S/C21H17N7S/c1-2-4-15-14(3-1)20(25-19-10-17(27-28-19)12-5-6-12)26-21(24-15)23-13-7-8-16-18(9-13)29-11-22-16/h1-4,7-12H,5-6H2,(H3,23,24,25,26,27,28)