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

Systemtic Name: 2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-4-methyl-pentanamide Openeye Name: 2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-4-methyl-pentanamide CAS Name: 2-[[2-(ethylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-[(4-isocyanophenyl)methyl]-4-methylpentanamide IUPAC Name: 2-[[2-(ethylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-4-methylpentanamide Traditional Name: 2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-isocyanobenzyl)-4-methyl-valeramide Formula: C24H29N7O MolecularWeight: 431.53336

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=CC(=N1)NC(CC(C)C)C(=O)NCC2=CC=C(C=C2)[N+]#[C-])N3C=CC=C3

Isomeric SMILES

CCNC1=NC(=CC(=N1)NC(CC(C)C)C(=O)NCC2=CC=C(C=C2)[N+]#[C-])N3C=CC=C3

InChI

InChI=1S/C24H29N7O/c1-5-26-24-29-21(15-22(30-24)31-12-6-7-13-31)28-20(14-17(2)3)23(32)27-16-18-8-10-19(25-4)11-9-18/h6-13,15,17,20H,5,14,16H2,1-3H3,(H,27,32)(H2,26,28,29,30)