8-[(4-methoxyphenyl)methylamino]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-(p-anisylamino)xanthine Formula: C18H21N5O3 MolecularWeight: 355.39104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1NCC3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1NCC3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H21N5O3/c1-11(2)10-23-14-15(22(3)18(25)21-16(14)24)20-17(23)19-9-12-5-7-13(26-4)8-6-12/h5-8H,1,9-10H2,2-4H3,(H,19,20)(H,21,24,25)