3-[4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butyl]-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione hydrochloride

Systemtic Name: 3-[4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butyl]-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione hydrochloride Openeye Name: 3-[4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butyl]-1H-benzothiopheno[3,2-d]pyrimidine-2,4-dione hydrochloride CAS Name: 3-[4-[3-(2-methoxyphenyl)-1-pyrrolidinyl]butyl]-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione hydrochloride IUPAC Name: 3-[4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butyl]-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione hydrochloride Traditional Name: 3-[4-[3-(2-methoxyphenyl)pyrrolidino]butyl]-1H-benzothiopheno[3,2-d]pyrimidine-2,4-quinone hydrochloride Formula: C25H28ClN3O3S MolecularWeight: 486.02612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CCN(C2)CCCCN3C(=O)C4=C(C5=CC=CC=C5S4)NC3=O.Cl

Isomeric SMILES

COC1=CC=CC=C1C2CCN(C2)CCCCN3C(=O)C4=C(C5=CC=CC=C5S4)NC3=O.Cl

InChI

InChI=1S/C25H27N3O3S.ClH/c1-31-20-10-4-2-8-18(20)17-12-15-27(16-17)13-6-7-14-28-24(29)23-22(26-25(28)30)19-9-3-5-11-21(19)32-23;/h2-5,8-11,17H,6-7,12-16H2,1H3,(H,26,30);1H