2-butoxy-9-(3-chloranylpropyl)-6-[(phenylmethyl)amino]-7H-purin-8-one

Systemtic Name: 2-butoxy-9-(3-chloranylpropyl)-6-[(phenylmethyl)amino]-7H-purin-8-one Openeye Name: 6-(benzylamino)-2-butoxy-9-(3-chloropropyl)-7H-purin-8-one CAS Name: 2-butoxy-9-(3-chloropropyl)-6-[(phenylmethyl)amino]-7H-purin-8-one IUPAC Name: 6-(benzylamino)-2-butoxy-9-(3-chloropropyl)-7H-purin-8-one Traditional Name: 6-(benzylamino)-2-butoxy-9-(3-chloropropyl)-7H-purin-8-one Formula: C19H24ClN5O2 MolecularWeight: 389.87916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)NCC3=CC=CC=C3)NC(=O)N2CCCCl

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)NCC3=CC=CC=C3)NC(=O)N2CCCCl

InChI

InChI=1S/C19H24ClN5O2/c1-2-3-12-27-18-23-16(21-13-14-8-5-4-6-9-14)15-17(24-18)25(11-7-10-20)19(26)22-15/h4-6,8-9H,2-3,7,10-13H2,1H3,(H,22,26)(H,21,23,24)