(4-chloranyl-2-methyl-phenyl) 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate Openeye Name: (4-chloro-2-methyl-phenyl) 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoate CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanoic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionic acid (4-chloro-2-methyl-phenyl) ester Formula: C17H17ClN4O4 MolecularWeight: 376.79428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H17ClN4O4/c1-10-8-11(18)4-5-12(10)26-13(23)6-7-22-9-19-15-14(22)16(24)21(3)17(25)20(15)2/h4-5,8-9H,6-7H2,1-3H3