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

Systemtic Name: 1-[2-(4-azanyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(3-methoxyphenyl)urea Openeye Name: 1-[2-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(3-methoxyphenyl)urea CAS Name: 1-[2-(4-amino-7-cyclopentyl-5-pyrrolo[2,3-d]pyrimidinyl)-3H-benzimidazol-5-yl]-3-(3-methoxyphenyl)urea IUPAC Name: 1-[2-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(3-methoxyphenyl)urea Traditional Name: 1-[2-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(3-methoxyphenyl)urea Formula: C26H26N8O2 MolecularWeight: 482.53704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CN(C5=C4C(=NC=N5)N)C6CCCC6

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CN(C5=C4C(=NC=N5)N)C6CCCC6

InChI

InChI=1S/C26H26N8O2/c1-36-18-8-4-5-15(11-18)30-26(35)31-16-9-10-20-21(12-16)33-24(32-20)19-13-34(17-6-2-3-7-17)25-22(19)23(27)28-14-29-25/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,32,33)(H2,27,28,29)(H2,30,31,35)