4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C19H23N4OS+ MolecularWeight: 355.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C4C=CSC4=NC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C4C=CSC4=NC=N3

InChI

InChI=1S/C19H22N4OS/c1-14-3-4-17(24-2)15(11-14)12-22-6-8-23(9-7-22)18-16-5-10-25-19(16)21-13-20-18/h3-5,10-11,13H,6-9,12H2,1-2H3/p+1