3-[1-butyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-7-yl]-2-oxidanylidene-propanal

Systemtic Name: 3-[1-butyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-7-yl]-2-oxidanylidene-propanal Openeye Name: 3-(3-benzyl-1-butyl-2,6-dioxo-purin-7-yl)-2-oxo-propanal CAS Name: 3-[1-butyl-2,6-dioxo-3-(phenylmethyl)-7-purinyl]-2-oxopropanal IUPAC Name: 3-(3-benzyl-1-butyl-2,6-dioxopurin-7-yl)-2-oxopropanal Traditional Name: 3-(3-benzyl-1-butyl-2,6-diketo-purin-7-yl)-2-keto-propionaldehyde Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2CC(=O)C=O)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2CC(=O)C=O)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O4/c1-2-3-9-22-18(26)16-17(20-13-21(16)11-15(25)12-24)23(19(22)27)10-14-7-5-4-6-8-14/h4-8,12-13H,2-3,9-11H2,1H3