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

Systemtic Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-phenyl-thieno[2,3-d]pyrimidine Formula: C18H21N4S+ MolecularWeight: 325.45114

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4

InChI

InChI=1S/C18H20N4S/c1-21-8-5-9-22(11-10-21)17-15-12-16(14-6-3-2-4-7-14)23-18(15)20-13-19-17/h2-4,6-7,12-13H,5,8-11H2,1H3/p+1