2-[[2-[(3-chlorophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-propanamide

Systemtic Name: 2-[[2-[(3-chlorophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-propanamide Openeye Name: 2-[[2-[(3-chlorophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-propanamide CAS Name: 2-[[2-[(3-chlorophenyl)methylamino]-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-3-cyclohexylpropanamide IUPAC Name: 2-[[2-[(3-chlorophenyl)methylamino]-6-pyrrol-1-ylpyrimidin-4-yl]amino]-3-cyclohexylpropanamide Traditional Name: 2-[[2-[(3-chlorobenzyl)amino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-propionamide Formula: C24H29ClN6O MolecularWeight: 452.97966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC2=NC(=NC(=C2)N3C=CC=C3)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N)NC2=NC(=NC(=C2)N3C=CC=C3)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H29ClN6O/c25-19-10-6-9-18(13-19)16-27-24-29-21(15-22(30-24)31-11-4-5-12-31)28-20(23(26)32)14-17-7-2-1-3-8-17/h4-6,9-13,15,17,20H,1-3,7-8,14,16H2,(H2,26,32)(H2,27,28,29,30)