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

Systemtic Name: [[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] propanoate Openeye Name: [(1,3-dimethyl-2,6-dioxo-purin-7-yl)-phenyl-methyl] propanoate CAS Name: propanoic acid [(1,3-dimethyl-2,6-dioxo-7-purinyl)-phenylmethyl] ester IUPAC Name: [(1,3-dimethyl-2,6-dioxopurin-7-yl)-phenylmethyl] propanoate Traditional Name: propionic acid [(2,6-diketo-1,3-dimethyl-purin-7-yl)-phenyl-methyl] ester Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC(=O)OC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H18N4O4/c1-4-12(22)25-16(11-8-6-5-7-9-11)21-10-18-14-13(21)15(23)20(3)17(24)19(14)2/h5-10,16H,4H2,1-3H3