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

Systemtic Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-(4-veratrylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Formula: C19H23N4O2S+ MolecularWeight: 371.47652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C4C=CSC4=NC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C4C=CSC4=NC=N3)OC

InChI

InChI=1S/C19H22N4O2S/c1-24-16-4-3-14(11-17(16)25-2)12-22-6-8-23(9-7-22)18-15-5-10-26-19(15)21-13-20-18/h3-5,10-11,13H,6-9,12H2,1-2H3/p+1