8-[bis(phenylmethyl)amino]-7-[(Z)-2-chloranylbut-2-enyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-[bis(phenylmethyl)amino]-7-[(Z)-2-chloranylbut-2-enyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(Z)-2-chlorobut-2-enyl]-8-(dibenzylamino)-3-methyl-purine-2,6-dione CAS Name: 8-[bis(phenylmethyl)amino]-7-[(Z)-2-chlorobut-2-enyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[(Z)-2-chlorobut-2-enyl]-8-(dibenzylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(Z)-2-chlorobut-2-enyl]-8-(dibenzylamino)-3-methyl-xanthine Formula: C24H24ClN5O2 MolecularWeight: 449.93266

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CN1C2=C(N=C1N(CC3=CC=CC=C3)CC4=CC=CC=C4)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C=C(/CN1C2=C(N=C1N(CC3=CC=CC=C3)CC4=CC=CC=C4)N(C(=O)NC2=O)C)\Cl

InChI

InChI=1S/C24H24ClN5O2/c1-3-19(25)16-30-20-21(28(2)24(32)27-22(20)31)26-23(30)29(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h3-13H,14-16H2,1-2H3,(H,27,31,32)/b19-3-