N-[[3-[4-azanyl-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]methyl]-4-methyl-piperazine-1-carboxamide

Systemtic Name: N-[[3-[4-azanyl-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]methyl]-4-methyl-piperazine-1-carboxamide Openeye Name: N-[[3-[4-amino-5-(3-benzyloxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]methyl]-4-methyl-piperazine-1-carboxamide CAS Name: N-[[3-[4-amino-5-(3-phenylmethoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]cyclobutyl]methyl]-4-methyl-1-piperazinecarboxamide IUPAC Name: N-[[3-[4-amino-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]methyl]-4-methylpiperazine-1-carboxamide Traditional Name: N-[[3-[4-amino-5-(3-benzoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]methyl]-4-methyl-piperazine-1-carboxamide Formula: C30H35N7O2 MolecularWeight: 525.6446

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NCC2CC(C2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

CN1CCN(CC1)C(=O)NCC2CC(C2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C30H35N7O2/c1-35-10-12-36(13-11-35)30(38)32-17-22-14-24(15-22)37-18-26(27-28(31)33-20-34-29(27)37)23-8-5-9-25(16-23)39-19-21-6-3-2-4-7-21/h2-9,16,18,20,22,24H,10-15,17,19H2,1H3,(H,32,38)(H2,31,33,34)