4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethylphenyl)-6-ethyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethylphenyl)-6-ethyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethylphenyl)-6-ethyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethylphenyl)-6-ethyl-thieno[2,3-d]pyrimidine Formula: C21H27N4S+ MolecularWeight: 367.53088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N=CN=C2S1)N3CCC[NH2+]CC3)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCC1=C(C2=C(N=CN=C2S1)N3CCC[NH2+]CC3)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C21H26N4S/c1-4-17-18(16-7-6-14(2)15(3)12-16)19-20(23-13-24-21(19)26-17)25-10-5-8-22-9-11-25/h6-7,12-13,22H,4-5,8-11H2,1-3H3/p+1