2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-3-methyl-butanamide

Systemtic Name: 2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-3-methyl-butanamide Openeye Name: 2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-3-methyl-butanamide CAS Name: 2-[[2-(ethylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-[(4-isocyanophenyl)methyl]-3-methylbutanamide IUPAC Name: 2-[[2-(ethylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-3-methylbutanamide Traditional Name: 2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-isocyanobenzyl)-3-methyl-butyramide Formula: C23H27N7O MolecularWeight: 417.50678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N7O/c1-5-25-23-28-19(14-20(29-23)30-12-6-7-13-30)27-21(16(2)3)22(31)26-15-17-8-10-18(24-4)11-9-17/h6-14,16,21H,5,15H2,1-3H3,(H,26,31)(H2,25,27,28,29)