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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[5-(4-methoxyphenyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[5-(4-methoxyphenyl)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[5-(4-methoxyphenyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C23H24N6O2S MolecularWeight: 448.54066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC3CCCO3)SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC3CCCO3)SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C23H24N6O2S/c1-30-16-10-8-15(9-11-16)22-27-28-23(29(22)13-17-5-4-12-31-17)32-14-20-25-19-7-3-2-6-18(19)21(24)26-20/h2-3,6-11,17H,4-5,12-14H2,1H3,(H2,24,25,26)