(E)-N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-3-quinolin-8-yl-prop-2-enamide

Systemtic Name: (E)-N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-3-quinolin-8-yl-prop-2-enamide Openeye Name: (E)-N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-3-(8-quinolyl)prop-2-enamide CAS Name: (E)-N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-3-(8-quinolinyl)-2-propenamide IUPAC Name: (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-quinolin-8-ylprop-2-enamide Traditional Name: (E)-N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-3-(8-quinolyl)acrylamide Formula: C27H27N5O3 MolecularWeight: 469.53498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C27H27N5O3/c1-2-3-17-31(22(33)15-14-21-12-7-11-20-13-8-16-29-23(20)21)24-25(28)32(27(35)30-26(24)34)18-19-9-5-4-6-10-19/h4-16H,2-3,17-18,28H2,1H3,(H,30,34,35)/b15-14+