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

Systemtic Name: N-[6-azanyl-1-(2-methoxyethyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-nitro-N-(phenylmethyl)benzamide Openeye Name: N-[6-amino-1-(2-methoxyethyl)-2,4-dioxo-pyrimidin-5-yl]-N-benzyl-3-nitro-benzamide CAS Name: N-[6-amino-1-(2-methoxyethyl)-2,4-dioxo-5-pyrimidinyl]-3-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-nitrobenzamide Traditional Name: N-[6-amino-2,4-diketo-1-(2-methoxyethyl)pyrimidin-5-yl]-N-benzyl-3-nitro-benzamide Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

COCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C21H21N5O6/c1-32-11-10-24-18(22)17(19(27)23-21(24)29)25(13-14-6-3-2-4-7-14)20(28)15-8-5-9-16(12-15)26(30)31/h2-9,12H,10-11,13,22H2,1H3,(H,23,27,29)