6-azanyl-3-ethyl-1-(phenylmethyl)-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-3-ethyl-1-(phenylmethyl)-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-ethyl-5-[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-ethyl-5-[1-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-ethyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-ethyl-5-[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]pyrimidine-2,4-quinone Formula: C23H27N4O3S+ MolecularWeight: 439.55048

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C23H26N4O3S/c1-2-26-22(29)20(21(24)27(23(26)30)14-16-8-4-3-5-9-16)18(28)15-25-12-6-10-17(25)19-11-7-13-31-19/h3-5,7-9,11,13,17H,2,6,10,12,14-15,24H2,1H3/p+1/t17-/m0/s1