N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(2-pyridylsulfanyl)acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-(2-pyridinylthio)acetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(2-pyridylthio)acetamide Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSC2=CC=CC=N2

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSC2=CC=CC=N2

InChI

InChI=1S/C18H25N5O3S/c1-3-5-11-22(14(24)12-27-13-8-6-7-9-20-13)15-16(19)23(10-4-2)18(26)21-17(15)25/h6-9H,3-5,10-12,19H2,1-2H3,(H,21,25,26)