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

Systemtic Name: 3-methyl-8-(3-oxidanylpropylamino)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3-hydroxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(3-hydroxypropylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(3-hydroxypropylamino)-3-methyl-xanthine Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O3/c1-20-13-12(14(23)19-16(20)24)21(10-11-6-3-2-4-7-11)15(18-13)17-8-5-9-22/h2-4,6-7,22H,5,8-10H2,1H3,(H,17,18)(H,19,23,24)