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

Systemtic Name: 3-methyl-7-octyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-3-methyl-7-octyl-purine-2,6-dione CAS Name: 3-methyl-7-octyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-(benzylamino)-3-methyl-7-octyl-xanthine Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H29N5O2/c1-3-4-5-6-7-11-14-26-17-18(25(2)21(28)24-19(17)27)23-20(26)22-15-16-12-9-8-10-13-16/h8-10,12-13H,3-7,11,14-15H2,1-2H3,(H,22,23)(H,24,27,28)