propan-2-yl 2-azanyl-7-(methylsulfanylmethyl)-6-sulfanylidene-5,7-dihydropteridine-8-carboxylate

Systemtic Name: propan-2-yl 2-azanyl-7-(methylsulfanylmethyl)-6-sulfanylidene-5,7-dihydropteridine-8-carboxylate Openeye Name: isopropyl 2-amino-7-(methylsulfanylmethyl)-6-thioxo-5,7-dihydropteridine-8-carboxylate CAS Name: 2-amino-7-[(methylthio)methyl]-6-sulfanylidene-5,7-dihydropteridine-8-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-amino-7-(methylsulfanylmethyl)-6-sulfanylidene-5,7-dihydropteridine-8-carboxylate Traditional Name: 2-amino-7-[(methylthio)methyl]-6-thioxo-5,7-dihydropteridine-8-carboxylic acid isopropyl ester Formula: C12H17N5O2S2 MolecularWeight: 327.42568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1C(C(=S)NC2=CN=C(N=C21)N)CSC

Isomeric SMILES

CC(C)OC(=O)N1C(C(=S)NC2=CN=C(N=C21)N)CSC

InChI

InChI=1S/C12H17N5O2S2/c1-6(2)19-12(18)17-8(5-21-3)10(20)15-7-4-14-11(13)16-9(7)17/h4,6,8H,5H2,1-3H3,(H,15,20)(H2,13,14,16)