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

Systemtic Name: methyl N-[2-azanyl-6-oxidanylidene-9-(thiophen-2-ylmethyl)-3H-purin-8-yl]carbamate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C12H12N6O3S MolecularWeight: 320.32708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N6O3S/c1-21-12(20)17-11-14-7-8(15-10(13)16-9(7)19)18(11)5-6-3-2-4-22-6/h2-4H,5H2,1H3,(H,14,17,20)(H3,13,15,16,19)