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

Systemtic Name: 2-[(1S)-1-(2-chloranyl-4-nitro-phenoxy)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1S)-1-(2-chloro-4-nitro-phenoxy)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1S)-1-(2-chloro-4-nitrophenoxy)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1S)-1-(2-chloro-4-nitrophenoxy)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1S)-1-(2-chloro-4-nitro-phenoxy)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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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)[N+](=O)[O-])Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O4S/c1-7-9(3)25-16-13(7)15(21)18-14(19-16)8(2)24-12-5-4-10(20(22)23)6-11(12)17/h4-6,8H,1-3H3,(H,18,19,21)/t8-/m0/s1