2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine CAS Name: 2-(1H-benzimidazol-2-ylthio)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-4-quinazolinamine IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine Traditional Name: [2-(1H-benzimidazol-2-ylthio)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-yl]amine Formula: C21H17N7S MolecularWeight: 399.47158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)C3=C4C(=CC=C3)N=C(N=C4N)SC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CC1C2=CC(=NN2)C3=C4C(=CC=C3)N=C(N=C4N)SC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C21H17N7S/c22-19-18-12(17-10-16(27-28-17)11-8-9-11)4-3-7-15(18)25-21(26-19)29-20-23-13-5-1-2-6-14(13)24-20/h1-7,10-11H,8-9H2,(H,23,24)(H,27,28)(H2,22,25,26)