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

Systemtic Name: 5-(4-chlorophenyl)-6-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 5-(4-chlorophenyl)-6-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine CAS Name: 5-(4-chlorophenyl)-6-methyl-4-(4-methyl-1-piperazin-4-iumyl)thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-chlorophenyl)-6-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 5-(4-chlorophenyl)-6-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Formula: C18H20ClN4S+ MolecularWeight: 359.8962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4S/c1-12-15(13-3-5-14(19)6-4-13)16-17(20-11-21-18(16)24-12)23-9-7-22(2)8-10-23/h3-6,11H,7-10H2,1-2H3/p+1