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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C22H23N7S MolecularWeight: 417.52992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N)N5CCCC5

InChI

InChI=1S/C22H23N7S/c1-15-8-10-16(11-9-15)29-21(28-12-4-5-13-28)26-27-22(29)30-14-19-24-18-7-3-2-6-17(18)20(23)25-19/h2-3,6-11H,4-5,12-14H2,1H3,(H2,23,24,25)