2-cyclopropyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-cyclopropyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-cyclopropyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-cyclopropyl-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-4,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-cyclopropyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-cyclopropyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H32N5OS+ MolecularWeight: 450.61948

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=C(C4=C(N=C(N=C4S3)C5CC5)C)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=C(C4=C(N=C(N=C4S3)C5CC5)C)C)C

InChI

InChI=1S/C25H31N5OS/c1-5-29-10-12-30(13-11-29)19-8-9-20(15(2)14-19)27-24(31)22-16(3)21-17(4)26-23(18-6-7-18)28-25(21)32-22/h8-9,14,18H,5-7,10-13H2,1-4H3,(H,27,31)/p+1