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

Systemtic Name: 5,6-dimethyl-2-[(1S)-1-(2-nitrophenoxy)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(1S)-1-(2-nitrophenoxy)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(1S)-1-(2-nitrophenoxy)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(1S)-1-(2-nitrophenoxy)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[(1S)-1-(2-nitrophenoxy)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H15N3O4S MolecularWeight: 345.373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S/c1-8-10(3)24-16-13(8)15(20)17-14(18-16)9(2)23-12-7-5-4-6-11(12)19(21)22/h4-7,9H,1-3H3,(H,17,18,20)/t9-/m0/s1