4-azanyl-7-[4-(dimethylsulfamoylamino)cyclohexyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-azanyl-7-[4-(dimethylsulfamoylamino)cyclohexyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidine Openeye Name: 4-amino-5-(3-benzyloxyphenyl)-7-[4-(dimethylsulfamoylamino)cyclohexyl]pyrrolo[2,3-d]pyrimidine CAS Name: 4-amino-7-[4-(dimethylsulfamoylamino)cyclohexyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-amino-7-[4-(dimethylsulfamoylamino)cyclohexyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidine Traditional Name: 4-amino-5-(3-benzoxyphenyl)-7-[4-(dimethylsulfamoylamino)cyclohexyl]pyrrolo[2,3-d]pyrimidine Formula: C27H32N6O3S MolecularWeight: 520.64638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O3S/c1-32(2)37(34,35)31-21-11-13-22(14-12-21)33-16-24(25-26(28)29-18-30-27(25)33)20-9-6-10-23(15-20)36-17-19-7-4-3-5-8-19/h3-10,15-16,18,21-22,31H,11-14,17H2,1-2H3,(H2,28,29,30)