2-azanyl-7-(2-azanylethylsulfanylmethyl)-1H-pteridin-4-one

Systemtic Name: 2-azanyl-7-(2-azanylethylsulfanylmethyl)-1H-pteridin-4-one Openeye Name: 2-amino-7-(2-aminoethylsulfanylmethyl)-1H-pteridin-4-one CAS Name: 2-amino-7-[(2-aminoethylthio)methyl]-1H-pteridin-4-one IUPAC Name: 2-amino-7-(2-aminoethylsulfanylmethyl)-1H-pteridin-4-one Traditional Name: 2-amino-7-[(2-aminoethylthio)methyl]-1H-pteridin-4-one Formula: C9H12N6OS MolecularWeight: 252.29618

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C2C(=N1)C(=O)N=C(N2)N)CSCCN

Isomeric SMILES

C1=C(N=C2C(=N1)C(=O)N=C(N2)N)CSCCN

InChI

InChI=1S/C9H12N6OS/c10-1-2-17-4-5-3-12-6-7(13-5)14-9(11)15-8(6)16/h3H,1-2,4,10H2,(H3,11,13,14,15,16)