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

Systemtic Name: 2-[1-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-1-methyl-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[1-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-1-oxopropan-2-yl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-1-methyl-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C22H23N5O4S/c1-11(18(28)17-19(23)26(2)22(31)27(3)21(17)30)32-16-10-14(20(29)24-12-8-9-12)13-6-4-5-7-15(13)25-16/h4-7,10-12H,8-9,23H2,1-3H3,(H,24,29)