3-bromanyl-N-[3-(diethylamino)propyl]-4-(7H-purin-8-yl)benzamide

Systemtic Name: 3-bromanyl-N-[3-(diethylamino)propyl]-4-(7H-purin-8-yl)benzamide Openeye Name: 3-bromo-N-[3-(diethylamino)propyl]-4-(7H-purin-8-yl)benzamide CAS Name: 3-bromo-N-[3-(diethylamino)propyl]-4-(7H-purin-8-yl)benzamide IUPAC Name: 3-bromo-N-[3-(diethylamino)propyl]-4-(7H-purin-8-yl)benzamide Traditional Name: 3-bromo-N-[3-(diethylamino)propyl]-4-(7H-purin-8-yl)benzamide Formula: C19H23BrN6O MolecularWeight: 431.32952

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=O)C1=CC(=C(C=C1)C2=NC3=NC=NC=C3N2)Br

Isomeric SMILES

CCN(CC)CCCNC(=O)C1=CC(=C(C=C1)C2=NC3=NC=NC=C3N2)Br

InChI

InChI=1S/C19H23BrN6O/c1-3-26(4-2)9-5-8-22-19(27)13-6-7-14(15(20)10-13)17-24-16-11-21-12-23-18(16)25-17/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,22,27)(H,21,23,24,25)