2-[(1S)-1-(4-methoxy-2-nitro-phenoxy)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1S)-1-(4-methoxy-2-nitro-phenoxy)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1S)-1-(4-methoxy-2-nitro-phenoxy)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1S)-1-(4-methoxy-2-nitrophenoxy)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1S)-1-(4-methoxy-2-nitrophenoxy)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1S)-1-(4-methoxy-2-nitro-phenoxy)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC3=C(C=C(C=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)[C@H](C)OC3=C(C=C(C=C3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N3O5S/c1-8-10(3)26-17-14(8)16(21)18-15(19-17)9(2)25-13-6-5-11(24-4)7-12(13)20(22)23/h5-7,9H,1-4H3,(H,18,19,21)/t9-/m0/s1