N-(6-azanyl-2-cyclopentylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-2-methyl-3-nitro-benzamide

Systemtic Name: N-(6-azanyl-2-cyclopentylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-2-methyl-3-nitro-benzamide Openeye Name: N-(6-amino-2-cyclopentylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-2-(cyclopentylthio)-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-(6-amino-2-cyclopentylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-2-(cyclopentylthio)-4-keto-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C17H19N5O4S MolecularWeight: 389.42886

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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)SC3CCCC3)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SC3CCCC3)N

InChI

InChI=1S/C17H19N5O4S/c1-9-11(7-4-8-12(9)22(25)26)15(23)19-13-14(18)20-17(21-16(13)24)27-10-5-2-3-6-10/h4,7-8,10H,2-3,5-6H2,1H3,(H,19,23)(H3,18,20,21,24)