2-[2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)N

InChI

InChI=1S/C21H21N5O4S/c1-25-18(22)17(20(29)26(2)21(25)30)15(27)10-31-16-9-13(19(28)23-11-7-8-11)12-5-3-4-6-14(12)24-16/h3-6,9,11H,7-8,10,22H2,1-2H3,(H,23,28)