N-[9-(phenylmethyl)-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[9-(phenylmethyl)-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[9-benzyl-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[9-(phenylmethyl)-6-[3-(1-pyrrolidinyl)propylamino]-2-purinyl]-3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-[9-benzyl-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[9-benzyl-6-(3-pyrrolidinopropylamino)purin-2-yl]-3-[4-(2-pyrimidyl)piperazino]sulfonyl-benzamide Formula: C34H39N11O3S MolecularWeight: 681.81036

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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)N6CCN(CC6)C7=NC=CC=N7

Isomeric SMILES

C1CCN(C1)CCCNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)S(=O)(=O)N6CCN(CC6)C7=NC=CC=N7

InChI

InChI=1S/C34H39N11O3S/c46-32(27-11-6-12-28(23-27)49(47,48)45-21-19-43(20-22-45)34-36-13-7-14-37-34)41-33-39-30(35-15-8-18-42-16-4-5-17-42)29-31(40-33)44(25-38-29)24-26-9-2-1-3-10-26/h1-3,6-7,9-14,23,25H,4-5,8,15-22,24H2,(H2,35,39,40,41,46)