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

Systemtic Name: 4-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]-N-(2-diethylaminoethyl)benzamide Openeye Name: 4-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]-N-(2-diethylaminoethyl)benzamide CAS Name: 4-[[3-(2-amino-6-oxo-3H-purin-9-yl)-1-oxopropyl]amino]-N-(2-diethylaminoethyl)benzamide IUPAC Name: 4-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]-N-(2-diethylaminoethyl)benzamide Traditional Name: 4-[3-(2-amino-6-keto-3H-purin-9-yl)propanoylamino]-N-(2-diethylaminoethyl)benzamide Formula: C21H28N8O3 MolecularWeight: 440.49882

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H28N8O3/c1-3-28(4-2)12-10-23-19(31)14-5-7-15(8-6-14)25-16(30)9-11-29-13-24-17-18(29)26-21(22)27-20(17)32/h5-8,13H,3-4,9-12H2,1-2H3,(H,23,31)(H,25,30)(H3,22,26,27,32)