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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[6-amino-4-oxo-2-[2-(1-piperidyl)ethylsulfanyl]-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-4-oxo-2-[2-(1-piperidinyl)ethylthio]-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-4-keto-2-(2-piperidinoethylthio)-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C19H24N6O4S MolecularWeight: 432.49666

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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)SCCN3CCCCC3)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SCCN3CCCCC3)N

InChI

InChI=1S/C19H24N6O4S/c1-12-13(6-5-7-14(12)25(28)29)17(26)21-15-16(20)22-19(23-18(15)27)30-11-10-24-8-3-2-4-9-24/h5-7H,2-4,8-11H2,1H3,(H,21,26)(H3,20,22,23,27)