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

Systemtic Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(2-dimethylaminoethylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(2-dimethylaminoethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(2-dimethylaminoethylamino)-3-methyl-xanthine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2/c1-21(2)10-9-18-16-19-14-13(15(24)20-17(25)22(14)3)23(16)11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,18,19)(H,20,24,25)