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

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-methoxyphenyl)-2-methyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-methoxyphenyl)-2-methyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-5-(4-methoxyphenyl)-2-methyl-thieno[2,3-d]pyrimidine Formula: C19H23N4OS+ MolecularWeight: 355.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=C(C=C3)OC)N4CCC[NH2+]CC4

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=C(C=C3)OC)N4CCC[NH2+]CC4

InChI

InChI=1S/C19H22N4OS/c1-13-21-18(23-10-3-8-20-9-11-23)17-16(12-25-19(17)22-13)14-4-6-15(24-2)7-5-14/h4-7,12,20H,3,8-11H2,1-2H3/p+1