N-(2-diethylaminoethyl)-4-[3-(6-oxidanylidene-3H-purin-9-yl)propanoylamino]benzamide

Systemtic Name: N-(2-diethylaminoethyl)-4-[3-(6-oxidanylidene-3H-purin-9-yl)propanoylamino]benzamide Openeye Name: N-(2-diethylaminoethyl)-4-[3-(6-oxo-3H-purin-9-yl)propanoylamino]benzamide CAS Name: N-(2-diethylaminoethyl)-4-[[1-oxo-3-(6-oxo-3H-purin-9-yl)propyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-[3-(6-oxo-3H-purin-9-yl)propanoylamino]benzamide Traditional Name: N-(2-diethylaminoethyl)-4-[3-(6-keto-3H-purin-9-yl)propanoylamino]benzamide Formula: C21H27N7O3 MolecularWeight: 425.48418

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2NC=NC3=O

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C21H27N7O3/c1-3-27(4-2)12-10-22-20(30)15-5-7-16(8-6-15)26-17(29)9-11-28-14-25-18-19(28)23-13-24-21(18)31/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,22,30)(H,26,29)(H,23,24,31)