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

Systemtic Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-N-(4-isocyanophenyl)propanamide Openeye Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-N-(4-isocyanophenyl)propanamide CAS Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-3-cyclohexyl-N-(4-isocyanophenyl)propanamide IUPAC Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-ylpyrimidin-4-yl]amino]-3-cyclohexyl-N-(4-isocyanophenyl)propanamide Traditional Name: 2-[[2-[(3-cyanobenzyl)amino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-N-(4-isocyanophenyl)propionamide Formula: C32H32N8O MolecularWeight: 544.64948

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)NC(=O)C(CC2CCCCC2)NC3=NC(=NC(=C3)N4C=CC=C4)NCC5=CC=CC(=C5)C#N

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)NC(=O)C(CC2CCCCC2)NC3=NC(=NC(=C3)N4C=CC=C4)NCC5=CC=CC(=C5)C#N

InChI

InChI=1S/C32H32N8O/c1-34-26-12-14-27(15-13-26)36-31(41)28(19-23-8-3-2-4-9-23)37-29-20-30(40-16-5-6-17-40)39-32(38-29)35-22-25-11-7-10-24(18-25)21-33/h5-7,10-18,20,23,28H,2-4,8-9,19,22H2,(H,36,41)(H2,35,37,38,39)