3-methyl-7-pentyl-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 3-methyl-7-pentyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-7-pentyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-(benzylamino)-3-methyl-xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H23N5O2/c1-3-4-8-11-23-14-15(22(2)18(25)21-16(14)24)20-17(23)19-12-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,19,20)(H,21,24,25)