N-[(4-methylsulfonylphenyl)methyl]-2-morpholin-4-yl-5-(phenylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

Systemtic Name: N-[(4-methylsulfonylphenyl)methyl]-2-morpholin-4-yl-5-(phenylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine Openeye Name: 5-benzyl-N-[(4-methylsulfonylphenyl)methyl]-2-morpholino-pyrrolo[3,2-d]pyrimidin-4-amine CAS Name: N-[(4-methylsulfonylphenyl)methyl]-2-(4-morpholinyl)-5-(phenylmethyl)-4-pyrrolo[3,2-d]pyrimidinamine IUPAC Name: 5-benzyl-N-[(4-methylsulfonylphenyl)methyl]-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine Traditional Name: (5-benzyl-2-morpholino-pyrrolo[3,2-d]pyrimidin-4-yl)-(4-mesylbenzyl)amine Formula: C25H27N5O3S MolecularWeight: 477.57858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC2=NC(=NC3=C2N(C=C3)CC4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC2=NC(=NC3=C2N(C=C3)CC4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C25H27N5O3S/c1-34(31,32)21-9-7-19(8-10-21)17-26-24-23-22(27-25(28-24)29-13-15-33-16-14-29)11-12-30(23)18-20-5-3-2-4-6-20/h2-12H,13-18H2,1H3,(H,26,27,28)