2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C21H23N7S MolecularWeight: 405.51922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H23N7S/c1-21(2,3)14-10-8-13(9-11-14)19-26-27-20(28(19)23)29-12-17-24-16-7-5-4-6-15(16)18(22)25-17/h4-11H,12,23H2,1-3H3,(H2,22,24,25)