1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C18H21N5O2 MolecularWeight: 339.39164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2NCC=C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2NCC=C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C18H21N5O2/c1-5-10-19-17-20-15-14(16(24)22(4)18(25)21(15)3)23(17)11-13-8-6-12(2)7-9-13/h5-9H,1,10-11H2,2-4H3,(H,19,20)