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

Systemtic Name: 1-[4-[4-azanyl-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-tert-butyl-urea Openeye Name: 1-[4-[4-amino-5-(3-benzyloxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-tert-butyl-urea CAS Name: 1-[4-[4-amino-5-(3-phenylmethoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]cyclohexyl]-3-tert-butylurea IUPAC Name: 1-[4-[4-amino-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-tert-butylurea Traditional Name: 1-[4-[4-amino-5-(3-benzoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-tert-butyl-urea Formula: C30H36N6O2 MolecularWeight: 512.64584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N6O2/c1-30(2,3)35-29(37)34-22-12-14-23(15-13-22)36-17-25(26-27(31)32-19-33-28(26)36)21-10-7-11-24(16-21)38-18-20-8-5-4-6-9-20/h4-11,16-17,19,22-23H,12-15,18H2,1-3H3,(H2,31,32,33)(H2,34,35,37)