6-octylsulfonyl-2-(phenylmethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

Systemtic Name: 6-octylsulfonyl-2-(phenylmethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one Openeye Name: 2-benzyl-6-octylsulfonyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one CAS Name: 6-octylsulfonyl-2-(phenylmethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one IUPAC Name: 2-benzyl-6-octylsulfonyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one Traditional Name: 2-benzyl-6-octylsulfonyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCC2=C(C1)C(=O)N=C(N2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCC2=C(C1)C(=O)N=C(N2)CC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O3S/c1-2-3-4-5-6-10-15-29(27,28)25-14-13-20-19(17-25)22(26)24-21(23-20)16-18-11-8-7-9-12-18/h7-9,11-12H,2-6,10,13-17H2,1H3,(H,23,24,26)