[2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] anthracene-9-carboxylate

Systemtic Name: [2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-(6-amino-1-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-(6-amino-1-methyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-(6-amino-2,4-diketo-1-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)N

Isomeric SMILES

CN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)N

InChI

InChI=1S/C22H17N3O5/c1-25-19(23)18(20(27)24-22(25)29)16(26)11-30-21(28)17-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)17/h2-10H,11,23H2,1H3,(H,24,27,29)