8-[3,5-bis(oxidanylidene)pyrazolidin-1-yl]-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[3,5-bis(oxidanylidene)pyrazolidin-1-yl]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3,5-dioxopyrazolidin-1-yl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dioxo-1-pyrazolidinyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3,5-dioxopyrazolidin-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(3,5-diketopyrazolidin-1-yl)-3-methyl-xanthine Formula: C16H14N6O4 MolecularWeight: 354.32016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3C(=O)CC(=O)N3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3C(=O)CC(=O)N3)CC4=CC=CC=C4

InChI

InChI=1S/C16H14N6O4/c1-20-13-12(14(25)18-16(20)26)21(8-9-5-3-2-4-6-9)15(17-13)22-11(24)7-10(23)19-22/h2-6H,7-8H2,1H3,(H,19,23)(H,18,25,26)