3-[[6-(cyclopropylamino)-9-[4-(hydroxymethyl)cyclopent-2-en-1-yl]purin-2-yl]amino]indol-2-one

Systemtic Name: 3-[[6-(cyclopropylamino)-9-[4-(hydroxymethyl)cyclopent-2-en-1-yl]purin-2-yl]amino]indol-2-one Openeye Name: 3-[[6-(cyclopropylamino)-9-[4-(hydroxymethyl)cyclopent-2-en-1-yl]purin-2-yl]amino]indol-2-one CAS Name: 3-[[6-(cyclopropylamino)-9-[4-(hydroxymethyl)-1-cyclopent-2-enyl]-2-purinyl]amino]-2-indolone IUPAC Name: 3-[[6-(cyclopropylamino)-9-[4-(hydroxymethyl)cyclopent-2-en-1-yl]purin-2-yl]amino]indol-2-one Traditional Name: 3-[[6-(cyclopropylamino)-9-(4-methylolcyclopent-2-en-1-yl)purin-2-yl]amino]indol-2-one Formula: C22H21N7O2 MolecularWeight: 415.44784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)NC5=C6C=CC=CC6=NC5=O

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)NC5=C6C=CC=CC6=NC5=O

InChI

InChI=1S/C22H21N7O2/c30-10-12-5-8-14(9-12)29-11-23-18-19(24-13-6-7-13)27-22(28-20(18)29)26-17-15-3-1-2-4-16(15)25-21(17)31/h1-5,8,11-14,30H,6-7,9-10H2,(H2,24,25,26,27,28,31)