2-[[2-(cyclopropylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-3-naphthalen-2-yl-propanamide

Systemtic Name: 2-[[2-(cyclopropylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-3-naphthalen-2-yl-propanamide Openeye Name: 2-[[2-(cyclopropylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-3-(2-naphthyl)propanamide CAS Name: 2-[[2-(cyclopropylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-[(4-isocyanophenyl)methyl]-3-(2-naphthalenyl)propanamide IUPAC Name: 2-[[2-(cyclopropylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-3-naphthalen-2-ylpropanamide Traditional Name: 2-[[2-(cyclopropylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-isocyanobenzyl)-3-(2-naphthyl)propionamide Formula: C32H29N7O MolecularWeight: 527.61896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)CNC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC4=NC(=NC(=C4)N5C=CC=C5)NC6CC6

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)CNC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC4=NC(=NC(=C4)N5C=CC=C5)NC6CC6

InChI

InChI=1S/C32H29N7O/c1-33-26-12-9-22(10-13-26)21-34-31(40)28(19-23-8-11-24-6-2-3-7-25(24)18-23)36-29-20-30(39-16-4-5-17-39)38-32(37-29)35-27-14-15-27/h2-13,16-18,20,27-28H,14-15,19,21H2,(H,34,40)(H2,35,36,37,38)