7-[(Z)-3-chloranylbut-2-enyl]-1,3-dimethyl-8-[(3-methylphenyl)amino]purine-2,6-dione

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-1,3-dimethyl-8-[(3-methylphenyl)amino]purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-(3-methylanilino)purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-(3-methylanilino)purine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-(3-methylanilino)purine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-(m-toluidino)xanthine Formula: C18H20ClN5O2 MolecularWeight: 373.8367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=C(N2CC=C(C)Cl)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=C(N2C/C=C(/C)\Cl)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H20ClN5O2/c1-11-6-5-7-13(10-11)20-17-21-15-14(24(17)9-8-12(2)19)16(25)23(4)18(26)22(15)3/h5-8,10H,9H2,1-4H3,(H,20,21)/b12-8-