2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-isopentyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-isoamyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C23H26N6OS MolecularWeight: 434.55714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)N)COC4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)N)COC4=CC=CC=C4

InChI

InChI=1S/C23H26N6OS/c1-16(2)12-13-29-21(14-30-17-8-4-3-5-9-17)27-28-23(29)31-15-20-25-19-11-7-6-10-18(19)22(24)26-20/h3-11,16H,12-15H2,1-2H3,(H2,24,25,26)