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

Systemtic Name: 1-[2-(4-azanyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(3-ethylphenyl)urea Openeye Name: 1-[2-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(3-ethylphenyl)urea CAS Name: 1-[2-(4-amino-7-cyclopentyl-5-pyrrolo[2,3-d]pyrimidinyl)-3H-benzimidazol-5-yl]-3-(3-ethylphenyl)urea IUPAC Name: 1-[2-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(3-ethylphenyl)urea Traditional Name: 1-[2-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(3-ethylphenyl)urea Formula: C27H28N8O MolecularWeight: 480.56422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CN(C5=C4C(=NC=N5)N)C6CCCC6

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CN(C5=C4C(=NC=N5)N)C6CCCC6

InChI

InChI=1S/C27H28N8O/c1-2-16-6-5-7-17(12-16)31-27(36)32-18-10-11-21-22(13-18)34-25(33-21)20-14-35(19-8-3-4-9-19)26-23(20)24(28)29-15-30-26/h5-7,10-15,19H,2-4,8-9H2,1H3,(H,33,34)(H2,28,29,30)(H2,31,32,36)