N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC(C2=CC3=C(C=C2)OCCCO3)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC(C2=CC3=C(C=C2)OCCCO3)C(C)C

InChI

InChI=1S/C23H31N3O3S/c1-14(2)22(17-7-9-19-20(13-17)29-12-6-11-28-19)26-21(27)10-8-18-15(3)24-23(30-5)25-16(18)4/h7,9,13-14,22H,6,8,10-12H2,1-5H3,(H,26,27)