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

Systemtic Name: [5,6-dimethyl-4-(3-methyl-4-nitro-phenoxy)thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-azanium Openeye Name: [5,6-dimethyl-4-(3-methyl-4-nitro-phenoxy)thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium CAS Name: [5,6-dimethyl-4-(3-methyl-4-nitrophenoxy)-2-thieno[2,3-d]pyrimidinyl]methyl-diethylammonium IUPAC Name: [5,6-dimethyl-4-(3-methyl-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium Traditional Name: [5,6-dimethyl-4-(3-methyl-4-nitro-phenoxy)thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c1-6-23(7-2)11-17-21-19(18-13(4)14(5)28-20(18)22-17)27-15-8-9-16(24(25)26)12(3)10-15/h8-10H,6-7,11H2,1-5H3/p+1