3-morpholin-4-ylsulfonyl-N-[9-(phenylmethyl)-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]benzamide

Systemtic Name: 3-morpholin-4-ylsulfonyl-N-[9-(phenylmethyl)-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]benzamide Openeye Name: N-[9-benzyl-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]-3-morpholinosulfonyl-benzamide CAS Name: 3-(4-morpholinylsulfonyl)-N-[9-(phenylmethyl)-6-[3-(1-pyrrolidinyl)propylamino]-2-purinyl]benzamide IUPAC Name: N-[9-benzyl-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[9-benzyl-6-(3-pyrrolidinopropylamino)purin-2-yl]-3-morpholinosulfonyl-benzamide Formula: C30H36N8O4S MolecularWeight: 604.72304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)S(=O)(=O)N6CCOCC6

Isomeric SMILES

C1CCN(C1)CCCNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)S(=O)(=O)N6CCOCC6

InChI

InChI=1S/C30H36N8O4S/c39-29(24-10-6-11-25(20-24)43(40,41)38-16-18-42-19-17-38)35-30-33-27(31-12-7-15-36-13-4-5-14-36)26-28(34-30)37(22-32-26)21-23-8-2-1-3-9-23/h1-3,6,8-11,20,22H,4-5,7,12-19,21H2,(H2,31,33,34,35,39)