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

Systemtic Name: 8-(2-diethylaminoethylamino)-1,3-dimethyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-(2-diethylaminoethylamino)-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-(2-diethylaminoethylamino)-1,3-dimethyl-7-phenethyl-xanthine Formula: C21H30N6O2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H30N6O2/c1-5-26(6-2)15-13-22-20-23-18-17(19(28)25(4)21(29)24(18)3)27(20)14-12-16-10-8-7-9-11-16/h7-11H,5-6,12-15H2,1-4H3,(H,22,23)