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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-methyl-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-methyl-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-methyl-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C22H30N6O5 MolecularWeight: 458.5108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-])N

InChI

InChI=1S/C22H30N6O5/c1-4-5-11-27-19(23)18(20(29)24-22(27)31)25(3)21(30)15-8-9-16(17(12-15)28(32)33)26-10-6-7-14(2)13-26/h8-9,12,14H,4-7,10-11,13,23H2,1-3H3,(H,24,29,31)