1-[4-[4-azanyl-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-ethyl-urea

Systemtic Name: 1-[4-[4-azanyl-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-ethyl-urea Openeye Name: 1-[4-[4-amino-5-(3-benzyloxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-ethyl-urea CAS Name: 1-[4-[4-amino-5-(3-phenylmethoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]cyclohexyl]-3-ethylurea IUPAC Name: 1-[4-[4-amino-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-ethylurea Traditional Name: 1-[4-[4-amino-5-(3-benzoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-ethyl-urea Formula: C28H32N6O2 MolecularWeight: 484.59268

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1CCC(CC1)N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCNC(=O)NC1CCC(CC1)N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H32N6O2/c1-2-30-28(35)33-21-11-13-22(14-12-21)34-16-24(25-26(29)31-18-32-27(25)34)20-9-6-10-23(15-20)36-17-19-7-4-3-5-8-19/h3-10,15-16,18,21-22H,2,11-14,17H2,1H3,(H2,29,31,32)(H2,30,33,35)