2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)C4CC4

InChI

InChI=1S/C18H21N5O3S/c1-4-23-16(10-5-6-10)21-22-18(23)27-9-15-19-12-8-14(26-3)13(25-2)7-11(12)17(24)20-15/h7-8,10H,4-6,9H2,1-3H3,(H,19,20,24)