1,3-dimethyl-8-(pentylamino)-7-phenacyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(pentylamino)-7-phenacyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(pentylamino)-7-phenacyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(pentylamino)-7-phenacylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(pentylamino)-7-phenacylpurine-2,6-dione Traditional Name: 8-(amylamino)-1,3-dimethyl-7-phenacyl-xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCNC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H25N5O3/c1-4-5-9-12-21-19-22-17-16(18(27)24(3)20(28)23(17)2)25(19)13-15(26)14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H,21,22)