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

Systemtic Name: 2-[(4-methoxy-2-nitro-phenoxy)methyl]-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-methoxy-2-nitro-phenoxy)methyl]-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-methoxy-2-nitrophenoxy)methyl]-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-methoxy-2-nitrophenoxy)methyl]-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-methoxy-2-nitro-phenoxy)methyl]-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-5-11(2)8-14-12(3)29-20-18(14)19(24)21-17(22-20)10-28-16-7-6-13(27-4)9-15(16)23(25)26/h6-7,9,11H,5,8,10H2,1-4H3,(H,21,22,24)/t11-/m0/s1