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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-acetamidobenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C19H21N5O5/c1-12(25)21-14-7-5-13(6-8-14)18(27)29-10-4-9-24-17(26)15-16(20-11-22(15)2)23(3)19(24)28/h5-8,11H,4,9-10H2,1-3H3,(H,21,25)