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

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-chloranyl-quinoline-4-carboxamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-chloro-quinoline-4-carboxamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-butyl-2-chloro-4-quinolinecarboxamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-chloroquinoline-4-carboxamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-chloro-cinchoninamide Formula: C22H26ClN5O3 MolecularWeight: 443.92654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC(=NC3=CC=CC=C32)Cl

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC(=NC3=CC=CC=C32)Cl

InChI

InChI=1S/C22H26ClN5O3/c1-4-5-10-27(18-19(24)28(12-13(2)3)22(31)26-20(18)29)21(30)15-11-17(23)25-16-9-7-6-8-14(15)16/h6-9,11,13H,4-5,10,12,24H2,1-3H3,(H,26,29,31)