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

Systemtic Name: 6-methyl-5-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 6-methyl-5-phenyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidine Formula: C24H25N4S+ MolecularWeight: 401.5471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N4S/c1-18-21(20-10-6-3-7-11-20)22-23(25-17-26-24(22)29-18)28-14-12-27(13-15-28)16-19-8-4-2-5-9-19/h2-11,17H,12-16H2,1H3/p+1