[2,5-dimethyl-4-[methyl-(4-propan-2-ylphenyl)amino]thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [2,5-dimethyl-4-[methyl-(4-propan-2-ylphenyl)amino]thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-(4-isopropyl-N-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [2,5-dimethyl-4-(N-methyl-4-propan-2-ylanilino)-6-thieno[2,3-d]pyrimidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2,5-dimethyl-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-(4-isopropyl-N-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C24H32N5OS+ MolecularWeight: 438.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N(C)C3=CC=C(C=C3)C(C)C)C)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N(C)C3=CC=C(C=C3)C(C)C)C)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H31N5OS/c1-15(2)18-7-9-19(10-8-18)28(6)22-20-16(3)21(31-23(20)26-17(4)25-22)24(30)29-13-11-27(5)12-14-29/h7-10,15H,11-14H2,1-6H3/p+1