N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-nitrophenyl)-N-propyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-nitrophenyl)-N-propyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-nitrophenyl)-N-propyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(4-nitrophenyl)-N-propylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-nitrophenyl)-N-propylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(4-nitrophenyl)-N-propyl-acetamide Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O5/c1-3-5-11-23-17(20)16(18(26)21-19(23)27)22(10-4-2)15(25)12-13-6-8-14(9-7-13)24(28)29/h6-9H,3-5,10-12,20H2,1-2H3,(H,21,26,27)