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

Systemtic Name: 2-cyclohexyl-2-[[2-(cyclopropylmethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]ethanamide Openeye Name: 2-cyclohexyl-2-[[2-(cyclopropylmethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]acetamide CAS Name: 2-cyclohexyl-2-[[2-(cyclopropylmethylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-[(4-isocyanophenyl)methyl]acetamide IUPAC Name: 2-cyclohexyl-2-[[2-(cyclopropylmethylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]acetamide Traditional Name: 2-cyclohexyl-2-[[2-(cyclopropylmethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-isocyanobenzyl)acetamide Formula: C28H33N7O MolecularWeight: 483.60792

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)CNC(=O)C(C2CCCCC2)NC3=NC(=NC(=C3)N4C=CC=C4)NCC5CC5

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)CNC(=O)C(C2CCCCC2)NC3=NC(=NC(=C3)N4C=CC=C4)NCC5CC5

InChI

InChI=1S/C28H33N7O/c1-29-23-13-11-21(12-14-23)18-30-27(36)26(22-7-3-2-4-8-22)32-24-17-25(35-15-5-6-16-35)34-28(33-24)31-19-20-9-10-20/h5-6,11-17,20,22,26H,2-4,7-10,18-19H2,(H,30,36)(H2,31,32,33,34)