5-[(6-methylpyridin-3-yl)methyl]-2-[2-[(4-nitrophenyl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one

Systemtic Name: 5-[(6-methylpyridin-3-yl)methyl]-2-[2-[(4-nitrophenyl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-[(6-methyl-3-pyridyl)methyl]-2-[2-[(4-nitrophenyl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 5-[(6-methyl-3-pyridinyl)methyl]-2-[2-[(4-nitrophenyl)methylthio]ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-[(6-methylpyridin-3-yl)methyl]-2-[2-[(4-nitrophenyl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-[(6-methyl-3-pyridyl)methyl]-2-[2-[(4-nitrobenzyl)thio]ethylamino]-1H-pyrimidin-6-one Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c1-14-2-3-16(11-22-14)10-17-12-23-20(24-19(17)26)21-8-9-29-13-15-4-6-18(7-5-15)25(27)28/h2-7,11-12H,8-10,13H2,1H3,(H2,21,23,24,26)