propyl 3-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]propanoate

Systemtic Name: propyl 3-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]propanoate Openeye Name: propyl 3-(7-benzyl-3-methyl-2,6-dioxo-purin-8-yl)propanoate CAS Name: 3-[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]propanoic acid propyl ester IUPAC Name: propyl 3-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)propanoate Traditional Name: 3-(7-benzyl-2,6-diketo-3-methyl-purin-8-yl)propionic acid propyl ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCOC(=O)CCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H22N4O4/c1-3-11-27-15(24)10-9-14-20-17-16(18(25)21-19(26)22(17)2)23(14)12-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,21,25,26)