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

Systemtic Name: 1-[4-[4-azanyl-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-propan-2-yl-urea Openeye Name: 1-[4-[4-amino-5-(3-benzyloxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-isopropyl-urea CAS Name: 1-[4-[4-amino-5-(3-phenylmethoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]cyclohexyl]-3-propan-2-ylurea IUPAC Name: 1-[4-[4-amino-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-propan-2-ylurea Traditional Name: 1-[4-[4-amino-5-(3-benzoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-isopropyl-urea Formula: C29H34N6O2 MolecularWeight: 498.61926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N6O2/c1-19(2)33-29(36)34-22-11-13-23(14-12-22)35-16-25(26-27(30)31-18-32-28(26)35)21-9-6-10-24(15-21)37-17-20-7-4-3-5-8-20/h3-10,15-16,18-19,22-23H,11-14,17H2,1-2H3,(H2,30,31,32)(H2,33,34,36)