[4-[2-azanyl-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol; benzoic acid

Systemtic Name: [4-[2-azanyl-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol; benzoic acid Openeye Name: [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol; benzoic acid CAS Name: [4-[2-amino-6-(cyclopropylamino)-9-purinyl]-1-cyclopent-2-enyl]methanol; benzoic acid IUPAC Name: [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol; benzoic acid Traditional Name: [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol; benzoic acid Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C14H18N6O.C7H6O2/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;8-7(9)6-4-2-1-3-5-6/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);1-5H,(H,8,9)