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

Systemtic Name: 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C17H16N6OS MolecularWeight: 352.41354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C17H16N6OS/c1-10-11(7-8-24-10)16-21-22-17(23(16)2)25-9-14-19-13-6-4-3-5-12(13)15(18)20-14/h3-8H,9H2,1-2H3,(H2,18,19,20)