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

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidine Formula: C19H23N4S+ MolecularWeight: 339.47772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4S/c1-13-16(15-7-4-3-5-8-15)17-18(21-14(2)22-19(17)24-13)23-11-6-9-20-10-12-23/h3-5,7-8,20H,6,9-12H2,1-2H3/p+1