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

Systemtic Name: 2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-cyclopropyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-cyclopropyl-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-cyclopropyl-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C20H25N7S MolecularWeight: 395.5244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C20H25N7S/c1-13-8-10-26(11-9-13)19-24-25-20(27(19)14-6-7-14)28-12-17-22-16-5-3-2-4-15(16)18(21)23-17/h2-5,13-14H,6-12H2,1H3,(H2,21,22,23)