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

Systemtic Name: 3-acetamido-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(3-methylbutyl)benzamide Openeye Name: 3-acetamido-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-benzamide CAS Name: 3-acetamido-N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(3-methylbutyl)benzamide IUPAC Name: 3-acetamido-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)benzamide Traditional Name: 3-acetamido-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-benzamide Formula: C22H31N5O4 MolecularWeight: 429.51264

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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)NC(=O)C)N

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O4/c1-5-6-11-27-19(23)18(20(29)25-22(27)31)26(12-10-14(2)3)21(30)16-8-7-9-17(13-16)24-15(4)28/h7-9,13-14H,5-6,10-12,23H2,1-4H3,(H,24,28)(H,25,29,31)