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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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