3-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1,6-dihydropyrimidin-2-one

Systemtic Name: 3-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1,6-dihydropyrimidin-2-one Openeye Name: 3-[4-[ethyl-[1-methyl-2-(4-methylsulfonylphenyl)ethyl]amino]butyl]-1,6-dihydropyrimidin-2-one CAS Name: 3-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1,6-dihydropyrimidin-2-one IUPAC Name: 3-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1,6-dihydropyrimidin-2-one Traditional Name: 3-[4-[ethyl-[2-(4-mesylphenyl)-1-methyl-ethyl]amino]butyl]-1,6-dihydropyrimidin-2-one Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1C=CCNC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCN(CCCCN1C=CCNC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C20H31N3O3S/c1-4-22(13-5-6-14-23-15-7-12-21-20(23)24)17(2)16-18-8-10-19(11-9-18)27(3,25)26/h7-11,15,17H,4-6,12-14,16H2,1-3H3,(H,21,24)