6-methyl-5-[(2S)-2-methylbutyl]-2-[(2-nitropyridin-3-yl)oxymethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(2-nitropyridin-3-yl)oxymethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(2-nitro-3-pyridyl)oxymethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(2-nitro-3-pyridinyl)oxymethyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(2-nitropyridin-3-yl)oxymethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(2-nitro-3-pyridyl)oxymethyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)COC3=C(N=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)COC3=C(N=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H20N4O4S/c1-4-10(2)8-12-11(3)27-18-15(12)17(23)20-14(21-18)9-26-13-6-5-7-19-16(13)22(24)25/h5-7,10H,4,8-9H2,1-3H3,(H,20,21,23)/t10-/m0/s1