8-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[(2E)-2-[(4-chlorophenyl)methylene]hydrazino]-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[(N'E)-N'-(4-chlorobenzylidene)hydrazino]-3-methyl-xanthine Formula: C16H15ClN6O2 MolecularWeight: 358.7823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)Cl)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)Cl)CC=C

InChI

InChI=1S/C16H15ClN6O2/c1-3-8-23-12-13(22(2)16(25)20-14(12)24)19-15(23)21-18-9-10-4-6-11(17)7-5-10/h3-7,9H,1,8H2,2H3,(H,19,21)(H,20,24,25)/b18-9+