5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine

Systemtic Name: 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine CAS Name: 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine IUPAC Name: 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC(=C(C=C3)OC)OC)N4CCC[NH+](CC4)C

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC(=C(C=C3)OC)OC)N4CCC[NH+](CC4)C

InChI

InChI=1S/C21H26N4O2S/c1-14-22-20(25-9-5-8-24(2)10-11-25)19-16(13-28-21(19)23-14)15-6-7-17(26-3)18(12-15)27-4/h6-7,12-13H,5,8-11H2,1-4H3/p+1