[6-methyl-5-[(2S)-2-methylbutyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 5-nitrofuran-2-carboxylate

Systemtic Name: [6-methyl-5-[(2S)-2-methylbutyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 5-nitrofuran-2-carboxylate Openeye Name: [6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [4-keto-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C18H19N3O6S MolecularWeight: 405.42496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC=C(O3)[N+](=O)[O-])C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC=C(O3)[N+](=O)[O-])C

InChI

InChI=1S/C18H19N3O6S/c1-4-9(2)7-11-10(3)28-17-15(11)16(22)19-13(20-17)8-26-18(23)12-5-6-14(27-12)21(24)25/h5-6,9H,4,7-8H2,1-3H3,(H,19,20,22)/t9-/m0/s1