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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-iodanyl-N-(3-methylbutyl)benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-iodo-N-isopentyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-iodo-N-(3-methylbutyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-iodo-N-(3-methylbutyl)benzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-iodo-N-isoamyl-benzamide Formula: C20H27IN4O3 MolecularWeight: 498.35785

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC(=CC=C2)I)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC(=CC=C2)I)N

InChI

InChI=1S/C20H27IN4O3/c1-4-5-10-25-17(22)16(18(26)23-20(25)28)24(11-9-13(2)3)19(27)14-7-6-8-15(21)12-14/h6-8,12-13H,4-5,9-11,22H2,1-3H3,(H,23,26,28)