2-[(5-but-3-enyl-6-methyl-2-phenyl-pyrimidin-4-yl)-prop-2-enyl-amino]-4-methyl-N-(phenylmethyl)pentanamide

Systemtic Name: 2-[(5-but-3-enyl-6-methyl-2-phenyl-pyrimidin-4-yl)-prop-2-enyl-amino]-4-methyl-N-(phenylmethyl)pentanamide Openeye Name: 2-[allyl-(5-but-3-enyl-6-methyl-2-phenyl-pyrimidin-4-yl)amino]-N-benzyl-4-methyl-pentanamide CAS Name: 2-[(5-but-3-enyl-6-methyl-2-phenyl-4-pyrimidinyl)-prop-2-enylamino]-4-methyl-N-(phenylmethyl)pentanamide IUPAC Name: N-benzyl-2-[(5-but-3-enyl-6-methyl-2-phenylpyrimidin-4-yl)-prop-2-enylamino]-4-methylpentanamide Traditional Name: 2-[allyl-(5-but-3-enyl-6-methyl-2-phenyl-pyrimidin-4-yl)amino]-N-benzyl-4-methyl-valeramide Formula: C31H38N4O MolecularWeight: 482.65962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N(CC=C)C(CC(C)C)C(=O)NCC3=CC=CC=C3)CCC=C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N(CC=C)C(CC(C)C)C(=O)NCC3=CC=CC=C3)CCC=C

InChI

InChI=1S/C31H38N4O/c1-6-8-19-27-24(5)33-29(26-17-13-10-14-18-26)34-30(27)35(20-7-2)28(21-23(3)4)31(36)32-22-25-15-11-9-12-16-25/h6-7,9-18,23,28H,1-2,8,19-22H2,3-5H3,(H,32,36)