3-[(2-chloranyl-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-N-[(4-cyanophenyl)methyl]-4-cyclohexyl-butanamide

Systemtic Name: 3-[(2-chloranyl-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-N-[(4-cyanophenyl)methyl]-4-cyclohexyl-butanamide Openeye Name: 3-[(2-chloro-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-N-[(4-cyanophenyl)methyl]-4-cyclohexyl-butanamide CAS Name: 3-[[2-chloro-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-[(4-cyanophenyl)methyl]-4-cyclohexylbutanamide IUPAC Name: 3-[(2-chloro-6-pyrrol-1-ylpyrimidin-4-yl)amino]-N-[(4-cyanophenyl)methyl]-4-cyclohexylbutanamide Traditional Name: 3-[(2-chloro-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-N-(4-cyanobenzyl)-4-cyclohexyl-butyramide Formula: C26H29ClN6O MolecularWeight: 477.00106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(CC(=O)NCC2=CC=C(C=C2)C#N)NC3=NC(=NC(=C3)N4C=CC=C4)Cl

Isomeric SMILES

C1CCC(CC1)CC(CC(=O)NCC2=CC=C(C=C2)C#N)NC3=NC(=NC(=C3)N4C=CC=C4)Cl

InChI

InChI=1S/C26H29ClN6O/c27-26-31-23(16-24(32-26)33-12-4-5-13-33)30-22(14-19-6-2-1-3-7-19)15-25(34)29-18-21-10-8-20(17-28)9-11-21/h4-5,8-13,16,19,22H,1-3,6-7,14-15,18H2,(H,29,34)(H,30,31,32)