2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(6-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C22H25N5OS/c28-20(26-8-4-5-9-26)15-25-10-12-27(13-11-25)21-18-14-19(17-6-2-1-3-7-17)29-22(18)24-16-23-21/h1-3,6-7,14,16H,4-5,8-13,15H2/p+1