N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methylpropyl)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methylpropyl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-(2-methylpropyl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-isobutyl-2-(2-thienyl)cinchoninamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)N

InChI

InChI=1S/C26H29N5O3S/c1-15(2)13-30(22-23(27)31(14-16(3)4)26(34)29-24(22)32)25(33)18-12-20(21-10-7-11-35-21)28-19-9-6-5-8-17(18)19/h5-12,15-16H,13-14,27H2,1-4H3,(H,29,32,34)