3-butyl-8-[[(2-ethanoylphenyl)amino]methyl]-7-ethyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[[(2-ethanoylphenyl)amino]methyl]-7-ethyl-purine-2,6-dione Openeye Name: 8-[(2-acetylanilino)methyl]-3-butyl-7-ethyl-purine-2,6-dione CAS Name: 8-[(2-acetylanilino)methyl]-3-butyl-7-ethylpurine-2,6-dione IUPAC Name: 8-[(2-acetylanilino)methyl]-3-butyl-7-ethylpurine-2,6-dione Traditional Name: 8-[(2-acetylanilino)methyl]-3-butyl-7-ethyl-xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC=C3C(=O)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC=C3C(=O)C)CC

InChI

InChI=1S/C20H25N5O3/c1-4-6-11-25-18-17(19(27)23-20(25)28)24(5-2)16(22-18)12-21-15-10-8-7-9-14(15)13(3)26/h7-10,21H,4-6,11-12H2,1-3H3,(H,23,27,28)