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

Systemtic Name: 4-[[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-amino]methyl]-3-nitro-benzamide CAS Name: 4-[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-ethylamino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-3-nitrobenzamide Traditional Name: 4-[[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-ethyl-amino]methyl]-3-nitro-benzamide Formula: C18H24N6O5 MolecularWeight: 404.42036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])N

InChI

InChI=1S/C18H24N6O5/c1-3-5-8-23-15(19)14(17(26)21-18(23)27)22(4-2)10-12-7-6-11(16(20)25)9-13(12)24(28)29/h6-7,9H,3-5,8,10,19H2,1-2H3,(H2,20,25)(H,21,26,27)