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

Systemtic Name: 3-methyl-7-(phenylmethyl)-8-[[(phenylmethyl)amino]methyl]purine-2,6-dione Openeye Name: 7-benzyl-8-[(benzylamino)methyl]-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(phenylmethyl)-8-[[(phenylmethyl)amino]methyl]purine-2,6-dione IUPAC Name: 7-benzyl-8-[(benzylamino)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[(benzylamino)methyl]-3-methyl-xanthine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CNCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CNCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2/c1-25-19-18(20(27)24-21(25)28)26(14-16-10-6-3-7-11-16)17(23-19)13-22-12-15-8-4-2-5-9-15/h2-11,22H,12-14H2,1H3,(H,24,27,28)