1,3-dimethyl-8-[(phenylmethyl)amino]-7-propyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(phenylmethyl)amino]-7-propyl-purine-2,6-dione Openeye Name: 8-(benzylamino)-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(phenylmethyl)amino]-7-propylpurine-2,6-dione IUPAC Name: 8-(benzylamino)-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-(benzylamino)-1,3-dimethyl-7-propyl-xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

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