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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[6-amino-4-oxo-2-[2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-[[(2R)-2-oxolanyl]methylamino]ethyl]thio]-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[6-amino-4-oxo-2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]thio]-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C19H22N6O6S MolecularWeight: 462.47958

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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)SCC(=O)NCC3CCCO3)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SCC(=O)NC[C@H]3CCCO3)N

InChI

InChI=1S/C19H22N6O6S/c1-10-12(5-2-6-13(10)25(29)30)17(27)22-15-16(20)23-19(24-18(15)28)32-9-14(26)21-8-11-4-3-7-31-11/h2,5-6,11H,3-4,7-9H2,1H3,(H,21,26)(H,22,27)(H3,20,23,24,28)/t11-/m1/s1