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

Systemtic Name: (4-chloranylnaphthalen-1-yl) 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoate Openeye Name: (4-chloro-1-naphthyl) 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetate CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)acetic acid (4-chloro-1-naphthalenyl) ester IUPAC Name: (4-chloronaphthalen-1-yl) 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetic acid (4-chloro-1-naphthyl) ester Formula: C19H15ClN4O4 MolecularWeight: 398.7998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)OC3=CC=C(C4=CC=CC=C43)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)OC3=CC=C(C4=CC=CC=C43)Cl

InChI

InChI=1S/C19H15ClN4O4/c1-22-10-21-17-16(22)18(26)24(19(27)23(17)2)9-15(25)28-14-8-7-13(20)11-5-3-4-6-12(11)14/h3-8,10H,9H2,1-2H3