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

Systemtic Name: 2-[(4-methoxy-2-nitro-phenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-methoxy-2-nitro-phenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-methoxy-2-nitrophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-methoxy-2-nitrophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-methoxy-2-nitro-phenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5S/c1-8-9(2)25-16-14(8)15(20)17-13(18-16)7-24-12-5-4-10(23-3)6-11(12)19(21)22/h4-6H,7H2,1-3H3,(H,17,18,20)