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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-acetamidobenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 3-acetamidobenzoate CAS Name: 3-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 3-acetamidobenzoate Traditional Name: 3-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=CC(=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O5/c1-12(25)21-14-7-4-6-13(10-14)18(27)29-9-5-8-24-17(26)15-16(20-11-22(15)2)23(3)19(24)28/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,21,25)