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

Systemtic Name: 4-[[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-ethyl-amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-amino]methyl]-3-nitro-benzamide CAS Name: 4-[[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-ethylamino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-3-nitrobenzamide Traditional Name: 4-[[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-ethyl-amino]methyl]-3-nitro-benzamide Formula: C21H22N6O5 MolecularWeight: 438.43658

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

CCN(CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C21H22N6O5/c1-2-25(12-15-9-8-14(19(23)28)10-16(15)27(31)32)17-18(22)26(21(30)24-20(17)29)11-13-6-4-3-5-7-13/h3-10H,2,11-12,22H2,1H3,(H2,23,28)(H,24,29,30)