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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-ethyl-3-methyl-4-nitro-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-3-methyl-4-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-ethyl-3-methyl-4-nitrobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methyl-4-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-3-methyl-4-nitro-benzamide Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O5/c1-4-6-9-22-15(19)14(16(24)20-18(22)26)21(5-2)17(25)12-7-8-13(23(27)28)11(3)10-12/h7-8,10H,4-6,9,19H2,1-3H3,(H,20,24,26)