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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-4-chloranyl-N-ethyl-3-nitro-benzamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-4-chloro-N-ethyl-3-nitro-benzamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-4-chloro-N-ethyl-3-nitrobenzamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-chloro-N-ethyl-3-nitrobenzamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-4-chloro-N-ethyl-3-nitro-benzamide Formula: C20H18ClN5O5 MolecularWeight: 443.84042

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN5O5/c1-2-24(19(28)13-8-9-14(21)15(10-13)26(30)31)16-17(22)25(20(29)23-18(16)27)11-12-6-4-3-5-7-12/h3-10H,2,11,22H2,1H3,(H,23,27,29)