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

Systemtic Name: 6-ethyl-4-piperazin-4-ium-1-yl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine Openeye Name: 6-ethyl-5-(4-isopropylphenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine CAS Name: 6-ethyl-4-(1-piperazin-4-iumyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine IUPAC Name: 6-ethyl-4-piperazin-4-ium-1-yl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine Traditional Name: 6-ethyl-5-p-cumenyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Formula: C21H27N4S+ MolecularWeight: 367.53088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N=CN=C2S1)N3CC[NH2+]CC3)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCC1=C(C2=C(N=CN=C2S1)N3CC[NH2+]CC3)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C21H26N4S/c1-4-17-18(16-7-5-15(6-8-16)14(2)3)19-20(23-13-24-21(19)26-17)25-11-9-22-10-12-25/h5-8,13-14,22H,4,9-12H2,1-3H3/p+1