3-[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(6-amino-1-benzyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[4-amino-1-methyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(6-amino-1-benzyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C23H18N5O6- MolecularWeight: 460.41892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C23H19N5O6/c1-26-21(31)17(19(24)27(23(26)34)11-13-7-3-2-4-8-13)16(29)12-28-20(30)15-10-6-5-9-14(15)18(25-28)22(32)33/h2-10H,11-12,24H2,1H3,(H,32,33)/p-1