N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-thieno[2,3-d]pyrimidin-4-yl-amine Formula: C17H20N5O2S2+ MolecularWeight: 390.503

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CSC4=NC=N3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CSC4=NC=N3

InChI

InChI=1S/C17H19N5O2S2/c1-21-7-9-22(10-8-21)26(23,24)14-4-2-13(3-5-14)20-16-15-6-11-25-17(15)19-12-18-16/h2-6,11-12H,7-10H2,1H3,(H,18,19,20)/p+1