4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-5,6-dimethyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-5,6-dimethyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-5,6-dimethyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]-5,6-dimethylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-yl]-5,6-dimethyl-thieno[2,3-d]pyrimidine Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C

InChI

InChI=1S/C21H26N4OS/c1-14-5-6-18(26-4)17(11-14)12-24-7-9-25(10-8-24)20-19-15(2)16(3)27-21(19)23-13-22-20/h5-6,11,13H,7-10,12H2,1-4H3/p+1