8-(butylamino)-3-methyl-7-phenacyl-purine-2,6-dione

Systemtic Name: 8-(butylamino)-3-methyl-7-phenacyl-purine-2,6-dione Openeye Name: 8-(butylamino)-3-methyl-7-phenacyl-purine-2,6-dione CAS Name: 8-(butylamino)-3-methyl-7-phenacylpurine-2,6-dione IUPAC Name: 8-(butylamino)-3-methyl-7-phenacylpurine-2,6-dione Traditional Name: 8-(butylamino)-3-methyl-7-phenacyl-xanthine Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCNC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H21N5O3/c1-3-4-10-19-17-20-15-14(16(25)21-18(26)22(15)2)23(17)11-13(24)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,19,20)(H,21,25,26)