[2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: [2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: [2-(2,4-dichloroanilino)-2-oxo-ethyl] 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid [2-(2,4-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid [2-(2,4-dichloroanilino)-2-keto-ethyl] ester Formula: C17H15Cl2N5O5 MolecularWeight: 440.2375

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H15Cl2N5O5/c1-22-15-14(16(27)23(2)17(22)28)24(8-20-15)6-13(26)29-7-12(25)21-11-4-3-9(18)5-10(11)19/h3-5,8H,6-7H2,1-2H3,(H,21,25)