8-(aminomethyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(aminomethyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 8-(aminomethyl)-7-benzyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(aminomethyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(aminomethyl)-7-benzyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(aminomethyl)-7-benzyl-1,3-dimethyl-xanthine Formula: C15H17N5O2 MolecularWeight: 299.32778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN)CC3=CC=CC=C3

InChI

InChI=1S/C15H17N5O2/c1-18-13-12(14(21)19(2)15(18)22)20(11(8-16)17-13)9-10-6-4-3-5-7-10/h3-7H,8-9,16H2,1-2H3