methyl N-(2-azanyl-9-hexyl-6-oxidanylidene-3H-purin-8-yl)carbamate

Systemtic Name: methyl N-(2-azanyl-9-hexyl-6-oxidanylidene-3H-purin-8-yl)carbamate Openeye Name: methyl N-(2-amino-9-hexyl-6-oxo-3H-purin-8-yl)carbamate CAS Name: N-(2-amino-9-hexyl-6-oxo-3H-purin-8-yl)carbamic acid methyl ester IUPAC Name: methyl N-(2-amino-9-hexyl-6-oxo-3H-purin-8-yl)carbamate Traditional Name: N-(2-amino-9-hexyl-6-keto-3H-purin-8-yl)carbamic acid methyl ester Formula: C13H20N6O3 MolecularWeight: 308.3363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C(=O)N=C(N2)N)N=C1NC(=O)OC

Isomeric SMILES

CCCCCCN1C2=C(C(=O)N=C(N2)N)N=C1NC(=O)OC

InChI

InChI=1S/C13H20N6O3/c1-3-4-5-6-7-19-9-8(10(20)17-11(14)16-9)15-12(19)18-13(21)22-2/h3-7H2,1-2H3,(H,15,18,21)(H3,14,16,17,20)