2-(benzotriazol-1-yl)-3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)amino]naphthalene-1,4-dione

Systemtic Name: 2-(benzotriazol-1-yl)-3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)amino]naphthalene-1,4-dione Openeye Name: 2-(benzotriazol-1-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]naphthalene-1,4-dione CAS Name: 2-(1-benzotriazolyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]naphthalene-1,4-dione IUPAC Name: 2-(benzotriazol-1-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]naphthalene-1,4-dione Traditional Name: 2-(benzotriazol-1-yl)-3-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)amino]-1,4-naphthoquinone Formula: C20H12N6O4 MolecularWeight: 400.34708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NC5=NC(=CC(=O)N5)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NC5=NC(=CC(=O)N5)O

InChI

InChI=1S/C20H12N6O4/c27-14-9-15(28)22-20(21-14)23-16-17(26-13-8-4-3-7-12(13)24-25-26)19(30)11-6-2-1-5-10(11)18(16)29/h1-9H,(H3,21,22,23,27,28)