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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-6-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-6-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-thieno[2,3-d]pyrimidine Formula: C17H19N4S+ MolecularWeight: 311.42456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4S/c1-20-7-9-21(10-8-20)16-14-11-15(13-5-3-2-4-6-13)22-17(14)19-12-18-16/h2-6,11-12H,7-10H2,1H3/p+1