2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-4-methyl-pentanamide

Systemtic Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-4-methyl-pentanamide Openeye Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-4-methyl-pentanamide CAS Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-[(4-isocyanophenyl)methyl]-4-methylpentanamide IUPAC Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-4-methylpentanamide Traditional Name: 2-[[2-[(3-cyanobenzyl)amino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-isocyanobenzyl)-4-methyl-valeramide Formula: C30H30N8O MolecularWeight: 518.6122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1=CC=C(C=C1)[N+]#[C-])NC2=NC(=NC(=C2)N3C=CC=C3)NCC4=CC=CC(=C4)C#N

Isomeric SMILES

CC(C)CC(C(=O)NCC1=CC=C(C=C1)[N+]#[C-])NC2=NC(=NC(=C2)N3C=CC=C3)NCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C30H30N8O/c1-21(2)15-26(29(39)33-19-22-9-11-25(32-3)12-10-22)35-27-17-28(38-13-4-5-14-38)37-30(36-27)34-20-24-8-6-7-23(16-24)18-31/h4-14,16-17,21,26H,15,19-20H2,1-2H3,(H,33,39)(H2,34,35,36,37)