diethyl-[[4-(4-methanoyl-2-nitro-phenoxy)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium

Systemtic Name: diethyl-[[4-(4-methanoyl-2-nitro-phenoxy)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Openeye Name: diethyl-[[4-(4-formyl-2-nitro-phenoxy)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium CAS Name: diethyl-[[4-(4-formyl-2-nitrophenoxy)-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl]methyl]ammonium IUPAC Name: diethyl-[[4-(4-formyl-2-nitrophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium Traditional Name: diethyl-[[4-(4-formyl-2-nitro-phenoxy)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium Formula: C20H23N4O4S+ MolecularWeight: 415.48602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=NC(=C2C(=C(SC2=N1)C)C)OC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=NC(=C2C(=C(SC2=N1)C)C)OC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-5-23(6-2)10-17-21-19(18-12(3)13(4)29-20(18)22-17)28-16-8-7-14(11-25)9-15(16)24(26)27/h7-9,11H,5-6,10H2,1-4H3/p+1