3-butyl-2-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-butyl-2-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-butyl-2-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-butyl-2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-butyl-2-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-butyl-2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl]thio]quinazolin-4-one Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC3C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC[C@H]3C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C26H31N3O4S/c1-4-5-14-29-25(31)19-9-6-7-10-21(19)27-26(29)34-17-24(30)28-15-8-11-22(28)20-16-18(32-2)12-13-23(20)33-3/h6-7,9-10,12-13,16,22H,4-5,8,11,14-15,17H2,1-3H3/t22-/m0/s1