N-(2-diethylaminoethyl)-4-[3-(3,6-dihydropurin-9-yl)propanoylamino]benzamide hydrochloride

Systemtic Name: N-(2-diethylaminoethyl)-4-[3-(3,6-dihydropurin-9-yl)propanoylamino]benzamide hydrochloride Openeye Name: N-(2-diethylaminoethyl)-4-[3-(3,6-dihydropurin-9-yl)propanoylamino]benzamide hydrochloride CAS Name: N-(2-diethylaminoethyl)-4-[[3-(3,6-dihydropurin-9-yl)-1-oxopropyl]amino]benzamide hydrochloride IUPAC Name: N-(2-diethylaminoethyl)-4-[3-(3,6-dihydropurin-9-yl)propanoylamino]benzamide hydrochloride Traditional Name: N-(2-diethylaminoethyl)-4-[3-(3,6-dihydropurin-9-yl)propanoylamino]benzamide hydrochloride Formula: C21H30ClN7O2 MolecularWeight: 447.9616

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H29N7O2.ClH/c1-3-27(4-2)12-10-23-21(30)16-5-7-17(8-6-16)26-19(29)9-11-28-15-25-18-13-22-14-24-20(18)28;/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,22,24)(H,23,30)(H,26,29);1H