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

Systemtic Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(p-tolylmethyl)-1,4-diazepan-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-[4-(4-methylbenzyl)-1,4-diazepan-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C19H23N4S+ MolecularWeight: 339.47772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=C4C=CSC4=NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=C4C=CSC4=NC=N3

InChI

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