1,3-dimethyl-7-phenethyl-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-phenethyl-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione Openeye Name: 8-(2-isopropylidenehydrazino)-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-phenethyl-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-phenethyl-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione Traditional Name: 8-(N'-isopropylidenehydrazino)-1,3-dimethyl-7-phenethyl-xanthine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C)C

Isomeric SMILES

CC(=NNC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C)C

InChI

InChI=1S/C18H22N6O2/c1-12(2)20-21-17-19-15-14(16(25)23(4)18(26)22(15)3)24(17)11-10-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3,(H,19,21)