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

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-6-ethyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-6-ethyl-5-(4-isopropylphenyl)thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-6-ethyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-6-ethyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-6-ethyl-5-p-cumenyl-thieno[2,3-d]pyrimidine Formula: C22H29N4S+ MolecularWeight: 381.55746

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4S/c1-4-18-19(17-8-6-16(7-9-17)15(2)3)20-21(24-14-25-22(20)27-18)26-12-5-10-23-11-13-26/h6-9,14-15,23H,4-5,10-13H2,1-3H3/p+1