N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(furan-2-yl)-N-(3-methylbutyl)quinoline-4-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(furan-2-yl)-N-(3-methylbutyl)quinoline-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(2-furyl)-N-isopentyl-quinoline-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(2-furanyl)-N-(3-methylbutyl)-4-quinolinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(3-methylbutyl)quinoline-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(2-furyl)-N-isoamyl-cinchoninamide Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4)N

InChI

InChI=1S/C27H31N5O4/c1-4-5-13-32-24(28)23(25(33)30-27(32)35)31(14-12-17(2)3)26(34)19-16-21(22-11-8-15-36-22)29-20-10-7-6-9-18(19)20/h6-11,15-17H,4-5,12-14,28H2,1-3H3,(H,30,33,35)