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

Systemtic Name: 8-(2-diethylaminoethylamino)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-(2-diethylaminoethylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-(2-diethylaminoethylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-(2-diethylaminoethylamino)-3,7-dimethyl-xanthine Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N6O2/c1-5-25(6-2)13-12-21-19-22-17-16(23(19)3)18(27)26(20(28)24(17)4)14-15-10-8-7-9-11-15/h7-11H,5-6,12-14H2,1-4H3,(H,21,22)