8-(hydroxymethyl)-3-(phenylmethyl)-1-propyl-7H-purine-2,6-dione

Systemtic Name: 8-(hydroxymethyl)-3-(phenylmethyl)-1-propyl-7H-purine-2,6-dione Openeye Name: 3-benzyl-8-(hydroxymethyl)-1-propyl-7H-purine-2,6-dione CAS Name: 8-(hydroxymethyl)-3-(phenylmethyl)-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-benzyl-8-(hydroxymethyl)-1-propyl-7H-purine-2,6-dione Traditional Name: 3-benzyl-8-methylol-1-propyl-7H-purine-2,6-quinone Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CO)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CO)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O3/c1-2-8-19-15(22)13-14(18-12(10-21)17-13)20(16(19)23)9-11-6-4-3-5-7-11/h3-7,21H,2,8-10H2,1H3,(H,17,18)