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

Systemtic Name: 2-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[1-(4-butylphenyl)-5-tetrazolyl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[1-(4-butylphenyl)tetrazol-5-yl]thio]methyl]quinazolin-4-yl]amine Formula: C20H21N7S MolecularWeight: 391.49264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C20H21N7S/c1-2-3-6-14-9-11-15(12-10-14)27-20(24-25-26-27)28-13-18-22-17-8-5-4-7-16(17)19(21)23-18/h4-5,7-12H,2-3,6,13H2,1H3,(H2,21,22,23)