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

Systemtic Name: 3-acetamido-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-3-thiophen-2-yl-propanamide Openeye Name: 3-acetamido-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-3-(2-thienyl)propanamide CAS Name: 3-acetamido-N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-3-thiophen-2-ylpropanamide IUPAC Name: 3-acetamido-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-thiophen-2-ylpropanamide Traditional Name: 3-acetamido-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-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(CCCC)C(=O)CC(C2=CC=CS2)NC(=O)C)N

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O4S/c1-4-6-10-25(17(28)13-15(23-14(3)27)16-9-8-12-31-16)18-19(22)26(11-7-5-2)21(30)24-20(18)29/h8-9,12,15H,4-7,10-11,13,22H2,1-3H3,(H,23,27)(H,24,29,30)