2-methyl-5-phenyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 2-methyl-5-phenyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Openeye Name: 2-methyl-5-phenyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine CAS Name: 2-methyl-5-phenyl-4-(1-piperazin-4-iumyl)thieno[2,3-d]pyrimidine IUPAC Name: 2-methyl-5-phenyl-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine Traditional Name: 2-methyl-5-phenyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Formula: C17H19N4S+ MolecularWeight: 311.42456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CC[NH2+]CC4

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CC[NH2+]CC4

InChI

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