2-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C21H25N7O2S MolecularWeight: 439.5339

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=NC5=CC=CC=C5C(=O)N4CC(=O)N

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=NC5=CC=CC=C5C(=O)N4CC(=O)N

InChI

InChI=1S/C21H25N7O2S/c22-17(29)12-27-18(23-16-7-3-2-6-15(16)19(27)30)13-31-21-25-24-20(28(21)14-8-9-14)26-10-4-1-5-11-26/h2-3,6-7,14H,1,4-5,8-13H2,(H2,22,29)