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

Systemtic Name: 3-acetamido-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methylpropyl)-3-thiophen-2-yl-propanamide Openeye Name: 3-acetamido-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-3-(2-thienyl)propanamide CAS Name: 3-acetamido-N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide IUPAC Name: 3-acetamido-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide Traditional Name: 3-acetamido-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isobutyl-3-(2-thienyl)propionamide Formula: C21H31N5O4S MolecularWeight: 449.56694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CC(C2=CC=CS2)NC(=O)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CC(C2=CC=CS2)NC(=O)C)N

InChI

InChI=1S/C21H31N5O4S/c1-5-6-9-25-19(22)18(20(29)24-21(25)30)26(12-13(2)3)17(28)11-15(23-14(4)27)16-8-7-10-31-16/h7-8,10,13,15H,5-6,9,11-12,22H2,1-4H3,(H,23,27)(H,24,29,30)