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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-chloranyl-N-(2-methoxyethyl)-4-nitro-benzamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-chloro-N-(2-methoxyethyl)-4-nitro-benzamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-chloro-N-(2-methoxyethyl)-4-nitrobenzamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-chloro-N-(2-methoxyethyl)-4-nitrobenzamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-chloro-N-(2-methoxyethyl)-4-nitro-benzamide Formula: C17H20ClN5O6 MolecularWeight: 425.8236

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N

InChI

InChI=1S/C17H20ClN5O6/c1-3-6-22-14(19)13(15(24)20-17(22)26)21(7-8-29-2)16(25)11-5-4-10(23(27)28)9-12(11)18/h4-5,9H,3,6-8,19H2,1-2H3,(H,20,24,26)