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

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C20H24N6O3S MolecularWeight: 428.50796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(N3C4CC4)N5CCCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(N3C4CC4)N5CCCC5)OC

InChI

InChI=1S/C20H24N6O3S/c1-28-15-9-13-14(10-16(15)29-2)21-17(22-18(13)27)11-30-20-24-23-19(25-7-3-4-8-25)26(20)12-5-6-12/h9-10,12H,3-8,11H2,1-2H3,(H,21,22,27)