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

Systemtic Name: 4-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]-4-morpholinosulfonyl-benzamide CAS Name: 4-(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]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[9-benzyl-6-(3-pyrrolidinopropylamino)purin-2-yl]-4-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=C(C=C5)S(=O)(=O)N6CCOCC6

Isomeric SMILES

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

InChI

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