3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-phenylazanylbenzoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-phenylazanylbenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-anilinobenzoate CAS Name: 2-anilinobenzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2-anilinobenzoate Traditional Name: 2-anilinobenzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3NC4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3NC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O4/c1-26-15-24-20-19(26)21(29)28(23(31)27(20)2)13-8-14-32-22(30)17-11-6-7-12-18(17)25-16-9-4-3-5-10-16/h3-7,9-12,15,25H,8,13-14H2,1-2H3