9-(3-oxidanylpropyl)-6-[[3-[1-(phenylsulfonyl)indol-3-yl]phenyl]methylamino]purine-2-carbonitrile

Systemtic Name: 9-(3-oxidanylpropyl)-6-[[3-[1-(phenylsulfonyl)indol-3-yl]phenyl]methylamino]purine-2-carbonitrile Openeye Name: 6-[[3-[1-(benzenesulfonyl)indol-3-yl]phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile CAS Name: 6-[[3-[1-(benzenesulfonyl)-3-indolyl]phenyl]methylamino]-9-(3-hydroxypropyl)-2-purinecarbonitrile IUPAC Name: 6-[[3-[1-(benzenesulfonyl)indol-3-yl]phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile Traditional Name: 6-[[3-(1-besylindol-3-yl)benzyl]amino]-9-(3-hydroxypropyl)purine-2-carbonitrile Formula: C30H25N7O3S MolecularWeight: 563.6296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=CC(=CC=C4)CNC5=NC(=NC6=C5N=CN6CCCO)C#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=CC(=CC=C4)CNC5=NC(=NC6=C5N=CN6CCCO)C#N

InChI

InChI=1S/C30H25N7O3S/c31-17-27-34-29(28-30(35-27)36(20-33-28)14-7-15-38)32-18-21-8-6-9-22(16-21)25-19-37(26-13-5-4-12-24(25)26)41(39,40)23-10-2-1-3-11-23/h1-6,8-13,16,19-20,38H,7,14-15,18H2,(H,32,34,35)