1,3,7-trimethyl-8-[(2Z)-2-(4-oxidanylidenepentan-2-ylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[(2Z)-2-(4-oxidanylidenepentan-2-ylidene)hydrazinyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[(2Z)-2-(1-methyl-3-oxo-butylidene)hydrazino]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(2Z)-2-(4-oxopentan-2-ylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[(2Z)-2-(4-oxopentan-2-ylidene)hydrazinyl]purine-2,6-dione Traditional Name: 8-[(N'Z)-N'-(3-keto-1-methyl-butylidene)hydrazino]-1,3,7-trimethyl-xanthine Formula: C13H18N6O3 MolecularWeight: 306.32042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)CC(=O)C

Isomeric SMILES

C/C(=N/NC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)/CC(=O)C

InChI

InChI=1S/C13H18N6O3/c1-7(6-8(2)20)15-16-12-14-10-9(17(12)3)11(21)19(5)13(22)18(10)4/h6H2,1-5H3,(H,14,16)/b15-7-