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

Systemtic Name: 5-(4-methoxyphenyl)-6-methyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Openeye Name: 5-(4-methoxyphenyl)-6-methyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine CAS Name: 5-(4-methoxyphenyl)-6-methyl-4-(1-piperazin-4-iumyl)thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-methoxyphenyl)-6-methyl-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine Traditional Name: 5-(4-methoxyphenyl)-6-methyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)N3CC[NH2+]CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)N3CC[NH2+]CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C18H20N4OS/c1-12-15(13-3-5-14(23-2)6-4-13)16-17(20-11-21-18(16)24-12)22-9-7-19-8-10-22/h3-6,11,19H,7-10H2,1-2H3/p+1