N-[(2-azanylpyrimidin-5-yl)methyl]-2-[6-methyl-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]pyridin-1-yl]ethanamide

Systemtic Name: N-[(2-azanylpyrimidin-5-yl)methyl]-2-[6-methyl-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]pyridin-1-yl]ethanamide Openeye Name: N-[(2-aminopyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridyl]acetamide CAS Name: N-[(2-amino-5-pyrimidinyl)methyl]-2-[6-methyl-2-oxo-3-[(phenylmethyl)sulfonylamino]-1-pyridinyl]acetamide IUPAC Name: N-[(2-aminopyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxopyridin-1-yl]acetamide Traditional Name: N-[(2-aminopyrimidin-5-yl)methyl]-2-[3-(benzylsulfonylamino)-2-keto-6-methyl-1-pyridyl]acetamide Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)N1CC(=O)NCC2=CN=C(N=C2)N)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C(=O)N1CC(=O)NCC2=CN=C(N=C2)N)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N6O4S/c1-14-7-8-17(25-31(29,30)13-15-5-3-2-4-6-15)19(28)26(14)12-18(27)22-9-16-10-23-20(21)24-11-16/h2-8,10-11,25H,9,12-13H2,1H3,(H,22,27)(H2,21,23,24)