N-[6-azanyl-2-(2-morpholin-4-ylethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[6-azanyl-2-(2-morpholin-4-ylethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[6-amino-2-(2-morpholinoethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-2-[2-(4-morpholinyl)ethylthio]-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[6-amino-2-(2-morpholin-4-ylethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-4-keto-2-(2-morpholinoethylthio)-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C18H22N6O5S MolecularWeight: 434.46948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SCCN3CCOCC3)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SCCN3CCOCC3)N

InChI

InChI=1S/C18H22N6O5S/c1-11-12(3-2-4-13(11)24(27)28)16(25)20-14-15(19)21-18(22-17(14)26)30-10-7-23-5-8-29-9-6-23/h2-4H,5-10H2,1H3,(H,20,25)(H3,19,21,22,26)