7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]carbonyl-3-(3-methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]carbonyl-3-(3-methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-3-(3-methoxypropyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-oxomethyl]-3-(3-methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-3-(3-methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-3-(3-methoxypropyl)-2-thioxo-1H-quinazolin-4-one Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCC3C4=CC5=C(C=C4)OCCO5)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCC3C4=CC5=C(C=C4)OCCO5)NC1=S

InChI

InChI=1S/C25H27N3O5S/c1-31-11-3-10-28-24(30)18-7-5-17(14-19(18)26-25(28)34)23(29)27-9-2-4-20(27)16-6-8-21-22(15-16)33-13-12-32-21/h5-8,14-15,20H,2-4,9-13H2,1H3,(H,26,34)