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

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

CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSC2=NC3=CC=CC=C3C=C2)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CSC2=NC3=CC=CC=C3C=C2)N

InChI

InChI=1S/C22H27N5O4S/c1-14(2)12-27-20(23)19(21(29)25-22(27)30)26(10-11-31-3)18(28)13-32-17-9-8-15-6-4-5-7-16(15)24-17/h4-9,14H,10-13,23H2,1-3H3,(H,25,29,30)