4-[3-(6-aminopurin-9-yl)propanoylamino]-N-[3-(dimethylamino)propyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[3-(6-aminopurin-9-yl)propanoylamino]-N-[3-(dimethylamino)propyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[3-(6-aminopurin-9-yl)propanoylamino]-N-[3-(dimethylamino)propyl]-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[3-(6-aminopurin-9-yl)-1-oxopropyl]amino]-N-[3-(dimethylamino)propyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[3-(6-aminopurin-9-yl)propanoylamino]-N-[3-(dimethylamino)propyl]-1-methylpyrrole-2-carboxamide Traditional Name: 4-(3-adenin-9-ylpropanoylamino)-N-[3-(dimethylamino)propyl]-1-methyl-pyrrole-2-carboxamide Formula: C19H27N9O2 MolecularWeight: 413.47678

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)CCN2C=NC3=C2N=CN=C3N

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)CCN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C19H27N9O2/c1-26(2)7-4-6-21-19(30)14-9-13(10-27(14)3)25-15(29)5-8-28-12-24-16-17(20)22-11-23-18(16)28/h9-12H,4-8H2,1-3H3,(H,21,30)(H,25,29)(H2,20,22,23)