1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-propanone IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propan-1-one Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propan-1-one Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H29N3O3S/c1-15-18(16(2)25-23(24-15)30-3)8-10-22(27)26-11-4-6-19(26)17-7-9-20-21(14-17)29-13-5-12-28-20/h7,9,14,19H,4-6,8,10-13H2,1-3H3