8-[2-(butylamino)ethylamino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCNCCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H28N6O2/c1-4-5-11-21-12-13-22-19-23-17-16(18(27)25(3)20(28)24(17)2)26(19)14-15-9-7-6-8-10-15/h6-10,21H,4-5,11-14H2,1-3H3,(H,22,23)