5-[[9-(phenylmethyl)purin-6-yl]hydrazinylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[9-(phenylmethyl)purin-6-yl]hydrazinylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(9-benzylpurin-6-yl)hydrazono]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[9-(phenylmethyl)-6-purinyl]hydrazinylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(9-benzylpurin-6-yl)hydrazinylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(9-benzylpurin-6-yl)hydrazono]barbituric acid Formula: C16H12N8O3 MolecularWeight: 364.31828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3NN=C4C(=O)NC(=O)NC4=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3NN=C4C(=O)NC(=O)NC4=O

InChI

InChI=1S/C16H12N8O3/c25-14-11(15(26)21-16(27)20-14)22-23-12-10-13(18-7-17-12)24(8-19-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,17,18,23)(H2,20,21,25,26,27)