7-[(E)-3-chloranylbut-2-enyl]-1,3-dimethyl-8-phenylazanyl-purine-2,6-dione

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-1,3-dimethyl-8-phenylazanyl-purine-2,6-dione Openeye Name: 8-anilino-7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-anilino-7-[(E)-3-chlorobut-2-enyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-anilino-7-[(E)-3-chlorobut-2-enyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-anilino-7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-xanthine Formula: C17H18ClN5O2 MolecularWeight: 359.81012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1NC3=CC=CC=C3)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

C/C(=C\CN1C2=C(N=C1NC3=CC=CC=C3)N(C(=O)N(C2=O)C)C)/Cl

InChI

InChI=1S/C17H18ClN5O2/c1-11(18)9-10-23-13-14(21(2)17(25)22(3)15(13)24)20-16(23)19-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3,(H,19,20)/b11-9+