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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-[(2-chloro-5-nitro-benzyl)-methyl-amino]acetamide Formula: C21H29ClN6O5 MolecularWeight: 480.94516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H29ClN6O5/c1-4-6-10-26(18-19(23)27(9-5-2)21(31)24-20(18)30)17(29)13-25(3)12-14-11-15(28(32)33)7-8-16(14)22/h7-8,11H,4-6,9-10,12-13,23H2,1-3H3,(H,24,30,31)