2-butoxy-9-[3-(3-morpholin-4-ylpropylamino)propyl]-6-[(phenylmethyl)amino]-7H-purin-8-one

Systemtic Name: 2-butoxy-9-[3-(3-morpholin-4-ylpropylamino)propyl]-6-[(phenylmethyl)amino]-7H-purin-8-one Openeye Name: 6-(benzylamino)-2-butoxy-9-[3-(3-morpholinopropylamino)propyl]-7H-purin-8-one CAS Name: 2-butoxy-9-[3-[3-(4-morpholinyl)propylamino]propyl]-6-[(phenylmethyl)amino]-7H-purin-8-one IUPAC Name: 6-(benzylamino)-2-butoxy-9-[3-(3-morpholin-4-ylpropylamino)propyl]-7H-purin-8-one Traditional Name: 6-(benzylamino)-2-butoxy-9-[3-(3-morpholinopropylamino)propyl]-7H-purin-8-one Formula: C26H39N7O3 MolecularWeight: 497.63296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)NCC3=CC=CC=C3)NC(=O)N2CCCNCCCN4CCOCC4

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)NCC3=CC=CC=C3)NC(=O)N2CCCNCCCN4CCOCC4

InChI

InChI=1S/C26H39N7O3/c1-2-3-17-36-25-30-23(28-20-21-9-5-4-6-10-21)22-24(31-25)33(26(34)29-22)14-8-12-27-11-7-13-32-15-18-35-19-16-32/h4-6,9-10,27H,2-3,7-8,11-20H2,1H3,(H,29,34)(H,28,30,31)