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

Systemtic Name: 9-(3-oxidanylpropyl)-6-[[3-[1-(phenylsulfonyl)indol-2-yl]phenyl]methylamino]purine-2-carbonitrile Openeye Name: 6-[[3-[1-(benzenesulfonyl)indol-2-yl]phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile CAS Name: 6-[[3-[1-(benzenesulfonyl)-2-indolyl]phenyl]methylamino]-9-(3-hydroxypropyl)-2-purinecarbonitrile IUPAC Name: 6-[[3-[1-(benzenesulfonyl)indol-2-yl]phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile Traditional Name: 6-[[3-(1-besylindol-2-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)N2C3=CC=CC=C3C=C2C4=CC(=CC=C4)CNC5=NC(=NC6=C5N=CN6CCCO)C#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C4=CC(=CC=C4)CNC5=NC(=NC6=C5N=CN6CCCO)C#N

InChI

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