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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-ethyl-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-2-(2-quinolylsulfanyl)acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-ethyl-2-(2-quinolinylthio)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-2-(2-quinolylthio)acetamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)CSC2=NC3=CC=CC=C3C=C2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)CSC2=NC3=CC=CC=C3C=C2)N

InChI

InChI=1S/C21H25N5O3S/c1-3-5-12-26-19(22)18(20(28)24-21(26)29)25(4-2)17(27)13-30-16-11-10-14-8-6-7-9-15(14)23-16/h6-11H,3-5,12-13,22H2,1-2H3,(H,24,28,29)