3-[3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[3-oxo-3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]propyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[3-keto-3-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one Formula: C19H26N5O3S+ MolecularWeight: 404.50644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C19H25N5O3S/c25-16(3-7-24-14-20-18-15(19(24)27)4-12-28-18)23-10-8-21(9-11-23)13-17(26)22-5-1-2-6-22/h4,12,14H,1-3,5-11,13H2/p+1