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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methoxyethyl)-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-methoxyethyl)-2-(2-quinolylsulfanyl)acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(2-methoxyethyl)-2-(2-quinolinylthio)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-(2-methoxyethyl)-2-(2-quinolylthio)acetamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4S/c1-3-4-11-27-20(23)19(21(29)25-22(27)30)26(12-13-31-2)18(28)14-32-17-10-9-15-7-5-6-8-16(15)24-17/h5-10H,3-4,11-14,23H2,1-2H3,(H,25,29,30)