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

Systemtic Name: 6-methyl-4-piperazin-4-ium-1-yl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine Openeye Name: 5-(4-isopropylphenyl)-6-methyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine CAS Name: 6-methyl-4-(1-piperazin-4-iumyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine IUPAC Name: 6-methyl-4-piperazin-4-ium-1-yl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine Traditional Name: 6-methyl-5-p-cumenyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Formula: C20H25N4S+ MolecularWeight: 353.5043

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4S/c1-13(2)15-4-6-16(7-5-15)17-14(3)25-20-18(17)19(22-12-23-20)24-10-8-21-9-11-24/h4-7,12-13,21H,8-11H2,1-3H3/p+1