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

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidine Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)N4CCC[NH2+]CC4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)N4CCC[NH2+]CC4)C)C

InChI

InChI=1S/C20H24N4S/c1-13-5-6-16(11-14(13)2)17-15(3)25-20-18(17)19(22-12-23-20)24-9-4-7-21-8-10-24/h5-6,11-12,21H,4,7-10H2,1-3H3/p+1