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

Systemtic Name: N-[6-azanyl-2-(diphenylmethyl)sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-(6-amino-2-benzhydrylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-2-[(diphenylmethyl)thio]-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-(6-amino-2-benzhydrylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-2-(benzhydrylthio)-4-keto-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C25H21N5O4S MolecularWeight: 487.53034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SC(C3=CC=CC=C3)C4=CC=CC=C4)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SC(C3=CC=CC=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C25H21N5O4S/c1-15-18(13-8-14-19(15)30(33)34)23(31)27-20-22(26)28-25(29-24(20)32)35-21(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14,21H,1H3,(H,27,31)(H3,26,28,29,32)