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

Systemtic Name: 2-[[2-[(3-chlorophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-N-(pyridin-4-ylmethyl)propanamide Openeye Name: 2-[[2-[(3-chlorophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-N-(4-pyridylmethyl)propanamide CAS Name: 2-[[2-[(3-chlorophenyl)methylamino]-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-3-cyclohexyl-N-(pyridin-4-ylmethyl)propanamide IUPAC Name: 2-[[2-[(3-chlorophenyl)methylamino]-6-pyrrol-1-ylpyrimidin-4-yl]amino]-3-cyclohexyl-N-(pyridin-4-ylmethyl)propanamide Traditional Name: 2-[[2-[(3-chlorobenzyl)amino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-N-(4-pyridylmethyl)propionamide Formula: C30H34ClN7O MolecularWeight: 544.09026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCC2=CC=NC=C2)NC3=NC(=NC(=C3)N4C=CC=C4)NCC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NCC2=CC=NC=C2)NC3=NC(=NC(=C3)N4C=CC=C4)NCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C30H34ClN7O/c31-25-10-6-9-24(17-25)21-34-30-36-27(19-28(37-30)38-15-4-5-16-38)35-26(18-22-7-2-1-3-8-22)29(39)33-20-23-11-13-32-14-12-23/h4-6,9-17,19,22,26H,1-3,7-8,18,20-21H2,(H,33,39)(H2,34,35,36,37)