N-cyclopropyl-2-[4-(6-methyl-5-phenyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-(6-methyl-5-phenyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[6-methyl-5-phenyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[6-methyl-5-phenyl-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[6-methyl-5-phenyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]acetamide Formula: C27H29N6OS+ MolecularWeight: 485.62376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=C(N=C2S1)C3=CN=CC=C3)N4CC[NH+](CC4)CC(=O)NC5CC5)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C2=C(N=C(N=C2S1)C3=CN=CC=C3)N4CC[NH+](CC4)CC(=O)NC5CC5)C6=CC=CC=C6

InChI

InChI=1S/C27H28N6OS/c1-18-23(19-6-3-2-4-7-19)24-26(30-25(31-27(24)35-18)20-8-5-11-28-16-20)33-14-12-32(13-15-33)17-22(34)29-21-9-10-21/h2-8,11,16,21H,9-10,12-15,17H2,1H3,(H,29,34)/p+1