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

Systemtic Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(6-methyl-2-nitro-pyridin-3-yl)oxymethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(6-methyl-2-nitro-3-pyridyl)oxymethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(6-methyl-2-nitropyridin-3-yl)oxymethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(6-methyl-2-nitro-3-pyridyl)oxymethyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4S/c1-5-10(2)8-13-12(4)28-19-16(13)18(24)21-15(22-19)9-27-14-7-6-11(3)20-17(14)23(25)26/h6-7,10H,5,8-9H2,1-4H3,(H,21,22,24)/t10-/m0/s1