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

Systemtic Name: [2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3,4-bis(chloranyl)benzoate Openeye Name: [2-(6-amino-1-benzyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [2-[4-amino-1-methyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [2-(6-amino-1-benzyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C21H17Cl2N3O5 MolecularWeight: 462.28278

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H17Cl2N3O5/c1-25-19(28)17(18(24)26(21(25)30)10-12-5-3-2-4-6-12)16(27)11-31-20(29)13-7-8-14(22)15(23)9-13/h2-9H,10-11,24H2,1H3