8-phenacyl-3-(thiophen-2-ylmethyl)-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione

Systemtic Name: 8-phenacyl-3-(thiophen-2-ylmethyl)-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione Openeye Name: 8-phenacyl-3-(2-thienylmethyl)-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione CAS Name: 8-phenacyl-3-(thiophen-2-ylmethyl)-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione IUPAC Name: 8-phenacyl-3-(thiophen-2-ylmethyl)-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione Traditional Name: 8-phenacyl-3-(2-thenyl)-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-quinone Formula: C20H16N3O3S+ MolecularWeight: 378.42434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=C2NC(=O)N(C3=O)CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=C2NC(=O)N(C3=O)CC4=CC=CS4

InChI

InChI=1S/C20H15N3O3S/c24-17(14-6-2-1-3-7-14)13-22-10-4-9-16-18(22)21-20(26)23(19(16)25)12-15-8-5-11-27-15/h1-11H,12-13H2/p+1