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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-phenyl-quinoline-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-phenylquinoline-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-phenyl-cinchoninamide Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5O3/c1-3-5-16-32(24-25(29)33(17-6-4-2)28(36)31-26(24)34)27(35)21-18-23(19-12-8-7-9-13-19)30-22-15-11-10-14-20(21)22/h7-15,18H,3-6,16-17,29H2,1-2H3,(H,31,34,36)