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

Systemtic Name: N2-(1-benzothiophen-6-yl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine Openeye Name: N2-(benzothiophen-6-yl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine CAS Name: N2-(1-benzothiophen-6-yl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine IUPAC Name: 2-N-(1-benzothiophen-6-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine Traditional Name: benzothiophen-6-yl-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amine Formula: C22H18N6S MolecularWeight: 398.48352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6S/c1-2-4-17-16(3-1)21(25-20-12-18(27-28-20)13-5-6-13)26-22(24-17)23-15-8-7-14-9-10-29-19(14)11-15/h1-4,7-13H,5-6H2,(H3,23,24,25,26,27,28)