ethyl N-[2-azanyl-6-oxidanylidene-9-(thiophen-2-ylmethyl)-3H-purin-8-yl]carbamate

Systemtic Name: ethyl N-[2-azanyl-6-oxidanylidene-9-(thiophen-2-ylmethyl)-3H-purin-8-yl]carbamate Openeye Name: ethyl N-[2-amino-6-oxo-9-(2-thienylmethyl)-3H-purin-8-yl]carbamate CAS Name: N-[2-amino-6-oxo-9-(thiophen-2-ylmethyl)-3H-purin-8-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-amino-6-oxo-9-(thiophen-2-ylmethyl)-3H-purin-8-yl]carbamate Traditional Name: N-[2-amino-6-keto-9-(2-thenyl)-3H-purin-8-yl]carbamic acid ethyl ester Formula: C13H14N6O3S MolecularWeight: 334.35366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC2=C(N1CC3=CC=CS3)NC(=NC2=O)N

Isomeric SMILES

CCOC(=O)NC1=NC2=C(N1CC3=CC=CS3)NC(=NC2=O)N

InChI

InChI=1S/C13H14N6O3S/c1-2-22-13(21)18-12-15-8-9(16-11(14)17-10(8)20)19(12)6-7-4-3-5-23-7/h3-5H,2,6H2,1H3,(H,15,18,21)(H3,14,16,17,20)