7-chloranyl-2-oxidanylidene-N-pyrimidin-4-yl-4-[2-(thiolan-2-yl)ethoxy]-3-(3,4,5-trimethylphenyl)-1H-quinoline-6-carboxamide

Systemtic Name: 7-chloranyl-2-oxidanylidene-N-pyrimidin-4-yl-4-[2-(thiolan-2-yl)ethoxy]-3-(3,4,5-trimethylphenyl)-1H-quinoline-6-carboxamide Openeye Name: 7-chloro-2-oxo-N-pyrimidin-4-yl-4-(2-tetrahydrothiophen-2-ylethoxy)-3-(3,4,5-trimethylphenyl)-1H-quinoline-6-carboxamide CAS Name: 7-chloro-2-oxo-N-(4-pyrimidinyl)-4-[2-(2-thiolanyl)ethoxy]-3-(3,4,5-trimethylphenyl)-1H-quinoline-6-carboxamide IUPAC Name: 7-chloro-2-oxo-N-pyrimidin-4-yl-4-[2-(thiolan-2-yl)ethoxy]-3-(3,4,5-trimethylphenyl)-1H-quinoline-6-carboxamide Traditional Name: 7-chloro-2-keto-N-(4-pyrimidyl)-4-(2-tetrahydrothiophen-2-ylethoxy)-3-(3,4,5-trimethylphenyl)-1H-quinoline-6-carboxamide Formula: C29H29ClN4O3S MolecularWeight: 549.08356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)C)C2=C(C3=CC(=C(C=C3NC2=O)Cl)C(=O)NC4=NC=NC=C4)OCCC5CCCS5

Isomeric SMILES

CC1=CC(=CC(=C1C)C)C2=C(C3=CC(=C(C=C3NC2=O)Cl)C(=O)NC4=NC=NC=C4)OCCC5CCCS5

InChI

InChI=1S/C29H29ClN4O3S/c1-16-11-19(12-17(2)18(16)3)26-27(37-9-7-20-5-4-10-38-20)22-13-21(23(30)14-24(22)33-29(26)36)28(35)34-25-6-8-31-15-32-25/h6,8,11-15,20H,4-5,7,9-10H2,1-3H3,(H,33,36)(H,31,32,34,35)