2-[[4-(4-methoxyphenyl)-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-(4-methoxyphenyl)-5-[1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-(4-methoxyphenyl)-5-[1-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-(4-methoxyphenyl)-5-(1-piperidinoethyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C25H29N7OS MolecularWeight: 475.60906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=C(C=C2)OC)SCC3=NC4=CC=CC=C4C(=N3)N)N5CCCCC5

Isomeric SMILES

CC(C1=NN=C(N1C2=CC=C(C=C2)OC)SCC3=NC4=CC=CC=C4C(=N3)N)N5CCCCC5

InChI

InChI=1S/C25H29N7OS/c1-17(31-14-6-3-7-15-31)24-29-30-25(32(24)18-10-12-19(33-2)13-11-18)34-16-22-27-21-9-5-4-8-20(21)23(26)28-22/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3,(H2,26,27,28)