1-[2-(4-azanyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(2-methoxy-5-methyl-phenyl)urea

Systemtic Name: 1-[2-(4-azanyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(2-methoxy-5-methyl-phenyl)urea Openeye Name: 1-[2-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(2-methoxy-5-methyl-phenyl)urea CAS Name: 1-[2-(4-amino-7-cyclopentyl-5-pyrrolo[2,3-d]pyrimidinyl)-3H-benzimidazol-5-yl]-3-(2-methoxy-5-methylphenyl)urea IUPAC Name: 1-[2-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(2-methoxy-5-methylphenyl)urea Traditional Name: 1-[2-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(2-methoxy-5-methyl-phenyl)urea Formula: C27H28N8O2 MolecularWeight: 496.56362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CN(C5=C4C(=NC=N5)N)C6CCCC6

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CN(C5=C4C(=NC=N5)N)C6CCCC6

InChI

InChI=1S/C27H28N8O2/c1-15-7-10-22(37-2)21(11-15)34-27(36)31-16-8-9-19-20(12-16)33-25(32-19)18-13-35(17-5-3-4-6-17)26-23(18)24(28)29-14-30-26/h7-14,17H,3-6H2,1-2H3,(H,32,33)(H2,28,29,30)(H2,31,34,36)