8-(3-methoxypropylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-methoxypropylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3-methoxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(3-methoxypropylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(3-methoxypropylamino)-3-methyl-xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCOC)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCOC)CC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O3/c1-21-14-13(15(23)20-17(21)24)22(11-12-7-4-3-5-8-12)16(19-14)18-9-6-10-25-2/h3-5,7-8H,6,9-11H2,1-2H3,(H,18,19)(H,20,23,24)