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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)N3CCC[NH2+]CC3)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)N3CCC[NH2+]CC3)C4=CC=C(C=C4)C(C)C

InChI

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