2-[(2-azanyl-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-2-cyclohexyl-N-(6-isocyano-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamide

Systemtic Name: 2-[(2-azanyl-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-2-cyclohexyl-N-(6-isocyano-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamide Openeye Name: 2-[(2-amino-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-2-cyclohexyl-N-(6-isocyanotetralin-1-yl)acetamide CAS Name: 2-[[2-amino-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-2-cyclohexyl-N-(6-isocyano-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide IUPAC Name: 2-[(2-amino-6-pyrrol-1-ylpyrimidin-4-yl)amino]-2-cyclohexyl-N-(6-isocyano-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide Traditional Name: 2-[(2-amino-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-2-cyclohexyl-N-(6-isocyanotetralin-1-yl)acetamide Formula: C27H31N7O MolecularWeight: 469.58134

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(C=C1)C(CCC2)NC(=O)C(C3CCCCC3)NC4=NC(=NC(=C4)N5C=CC=C5)N

Isomeric SMILES

[C-]#[N+]C1=CC2=C(C=C1)C(CCC2)NC(=O)C(C3CCCCC3)NC4=NC(=NC(=C4)N5C=CC=C5)N

InChI

InChI=1S/C27H31N7O/c1-29-20-12-13-21-19(16-20)10-7-11-22(21)30-26(35)25(18-8-3-2-4-9-18)31-23-17-24(33-27(28)32-23)34-14-5-6-15-34/h5-6,12-18,22,25H,2-4,7-11H2,(H,30,35)(H3,28,31,32,33)