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

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-5-ethoxy-4-methoxy-N-(2-methoxyethyl)-2-nitro-benzamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-5-ethoxy-4-methoxy-N-(2-methoxyethyl)-2-nitro-benzamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-5-ethoxy-4-methoxy-N-(2-methoxyethyl)-2-nitrobenzamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-ethoxy-4-methoxy-N-(2-methoxyethyl)-2-nitrobenzamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-5-ethoxy-4-methoxy-N-(2-methoxyethyl)-2-nitro-benzamide Formula: C21H29N5O8 MolecularWeight: 479.48366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC(C)C)N)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC(C)C)N)[N+](=O)[O-])OC

InChI

InChI=1S/C21H29N5O8/c1-6-34-16-9-13(14(26(30)31)10-15(16)33-5)20(28)24(7-8-32-4)17-18(22)25(11-12(2)3)21(29)23-19(17)27/h9-10,12H,6-8,11,22H2,1-5H3,(H,23,27,29)