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

Systemtic Name: [4-(azocan-1-yl)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-(azocan-1-yl)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [4-(1-azocanyl)-5-methyl-6-thieno[2,3-d]pyrimidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-(azocan-1-yl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-(azocan-1-yl)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C20H30N5OS+ MolecularWeight: 388.5501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCCCCC3)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCCCCC3)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C20H29N5OS/c1-15-16-18(24-8-6-4-3-5-7-9-24)21-14-22-19(16)27-17(15)20(26)25-12-10-23(2)11-13-25/h14H,3-13H2,1-2H3/p+1