3-methyl-7-pentyl-8-phenylazanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-pentyl-8-phenylazanyl-purine-2,6-dione Openeye Name: 8-anilino-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-anilino-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-anilino-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-anilino-3-methyl-xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1NC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1NC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H21N5O2/c1-3-4-8-11-22-13-14(21(2)17(24)20-15(13)23)19-16(22)18-12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,18,19)(H,20,23,24)