(3E)-2-ethyl-3-[[(2-ethyl-4-oxidanylidene-quinazolin-3-yl)amino]-oxidanyl-methylidene]isoquinoline-1,4-dione

Systemtic Name: (3E)-2-ethyl-3-[[(2-ethyl-4-oxidanylidene-quinazolin-3-yl)amino]-oxidanyl-methylidene]isoquinoline-1,4-dione Openeye Name: (3E)-2-ethyl-3-[[(2-ethyl-4-oxo-quinazolin-3-yl)amino]-hydroxy-methylene]isoquinoline-1,4-dione CAS Name: (3E)-2-ethyl-3-[[(2-ethyl-4-oxo-3-quinazolinyl)amino]-hydroxymethylidene]isoquinoline-1,4-dione IUPAC Name: (3E)-2-ethyl-3-[[(2-ethyl-4-oxoquinazolin-3-yl)amino]-hydroxymethylidene]isoquinoline-1,4-dione Traditional Name: (3E)-2-ethyl-3-[[(2-ethyl-4-keto-quinazolin-3-yl)amino]-hydroxy-methylene]isoquinoline-1,4-quinone Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=O)N1NC(=C3C(=O)C4=CC=CC=C4C(=O)N3CC)O

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1N/C(=C\3/C(=O)C4=CC=CC=C4C(=O)N3CC)/O

InChI

InChI=1S/C22H20N4O4/c1-3-17-23-16-12-8-7-11-15(16)22(30)26(17)24-20(28)18-19(27)13-9-5-6-10-14(13)21(29)25(18)4-2/h5-12,24,28H,3-4H2,1-2H3/b20-18+