5-[[3-methyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]hydrazinylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[3-methyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]hydrazinylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(7-isopropyl-3-methyl-2,6-dioxo-purin-8-yl)hydrazono]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-methyl-2,6-dioxo-7-propan-2-yl-8-purinyl)hydrazinylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)hydrazinylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(7-isopropyl-2,6-diketo-3-methyl-purin-8-yl)hydrazono]barbituric acid Formula: C13H14N8O5 MolecularWeight: 362.30086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1NN=C3C(=O)NC(=O)NC3=O)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1NN=C3C(=O)NC(=O)NC3=O)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H14N8O5/c1-4(2)21-6-7(20(3)13(26)17-10(6)24)14-11(21)19-18-5-8(22)15-12(25)16-9(5)23/h4H,1-3H3,(H,14,19)(H,17,24,26)(H2,15,16,22,23,25)