2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-methyl-amino]-N-(2-chloranyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-methyl-amino]-N-(2-chloranyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-methyl-amino]-N-(2-chloro-4-nitro-phenyl)acetamide CAS Name: 2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-methylamino]-N-(2-chloro-4-nitrophenyl)acetamide IUPAC Name: 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(2-chloro-4-nitrophenyl)acetamide Traditional Name: 2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-methyl-amino]-N-(2-chloro-4-nitro-phenyl)acetamide Formula: C17H21ClN6O5 MolecularWeight: 424.83884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N

InChI

InChI=1S/C17H21ClN6O5/c1-3-4-7-23-15(19)14(16(26)21-17(23)27)22(2)9-13(25)20-12-6-5-10(24(28)29)8-11(12)18/h5-6,8H,3-4,7,9,19H2,1-2H3,(H,20,25)(H,21,26,27)