4-cyclohexyl-2-[[2-(cyclopropylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]butanamide

Systemtic Name: 4-cyclohexyl-2-[[2-(cyclopropylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]butanamide Openeye Name: 4-cyclohexyl-2-[[2-(cyclopropylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]butanamide CAS Name: 4-cyclohexyl-2-[[2-(cyclopropylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-[(4-isocyanophenyl)methyl]butanamide IUPAC Name: 4-cyclohexyl-2-[[2-(cyclopropylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]butanamide Traditional Name: 4-cyclohexyl-2-[[2-(cyclopropylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-isocyanobenzyl)butyramide Formula: C29H35N7O MolecularWeight: 497.6345

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)CNC(=O)C(CCC2CCCCC2)NC3=NC(=NC(=C3)N4C=CC=C4)NC5CC5

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)CNC(=O)C(CCC2CCCCC2)NC3=NC(=NC(=C3)N4C=CC=C4)NC5CC5

InChI

InChI=1S/C29H35N7O/c1-30-23-12-9-22(10-13-23)20-31-28(37)25(16-11-21-7-3-2-4-8-21)33-26-19-27(36-17-5-6-18-36)35-29(34-26)32-24-14-15-24/h5-6,9-10,12-13,17-19,21,24-25H,2-4,7-8,11,14-16,20H2,(H,31,37)(H2,32,33,34,35)