7-(2-methoxyethyl)-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-(2-methoxyethyl)-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)NCC3=CC=CC=C3)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CCOC

InChI

InChI=1S/C16H19N5O3/c1-20-13-12(14(22)19-16(20)23)21(8-9-24-2)15(18-13)17-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,17,18)(H,19,22,23)