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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-ethyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-N-ethyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-ethylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-ethylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-[(2-chloro-5-nitro-benzyl)-methyl-amino]-N-ethyl-acetamide Formula: C20H27ClN6O5 MolecularWeight: 466.91858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN6O5/c1-4-6-9-26-18(22)17(19(29)23-20(26)30)25(5-2)16(28)12-24(3)11-13-10-14(27(31)32)7-8-15(13)21/h7-8,10H,4-6,9,11-12,22H2,1-3H3,(H,23,29,30)