[1-[2-azanyl-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl hydrogen sulfate

Systemtic Name: [1-[2-azanyl-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl hydrogen sulfate Openeye Name: [1-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl hydrogen sulfate CAS Name: sulfuric acid [1-[2-amino-6-(cyclopropylamino)-9-purinyl]-1-cyclopent-2-enyl]methyl ester IUPAC Name: [1-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl hydrogen sulfate Traditional Name: sulfuric acid [1-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl ester Formula: C14H18N6O4S MolecularWeight: 366.39552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=C1)(COS(=O)(=O)O)N2C=NC3=C2N=C(N=C3NC4CC4)N

Isomeric SMILES

C1CC(C=C1)(COS(=O)(=O)O)N2C=NC3=C2N=C(N=C3NC4CC4)N

InChI

InChI=1S/C14H18N6O4S/c15-13-18-11(17-9-3-4-9)10-12(19-13)20(8-16-10)14(5-1-2-6-14)7-24-25(21,22)23/h1,5,8-9H,2-4,6-7H2,(H,21,22,23)(H3,15,17,18,19)