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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-3-methyl-2-nitro-N-(phenylmethyl)benzamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-benzyl-3-methyl-2-nitro-benzamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-3-methyl-2-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methyl-2-nitrobenzamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-benzyl-3-methyl-2-nitro-benzamide Formula: C26H23N5O5 MolecularWeight: 485.49132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N(CC2=CC=CC=C2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N(CC2=CC=CC=C2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N

InChI

InChI=1S/C26H23N5O5/c1-17-9-8-14-20(21(17)31(35)36)25(33)29(15-18-10-4-2-5-11-18)22-23(27)30(26(34)28-24(22)32)16-19-12-6-3-7-13-19/h2-14H,15-16,27H2,1H3,(H,28,32,34)