6-(quinazolin-4-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-(quinazolin-4-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(quinazolin-4-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(4-quinazolinylthio)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(quinazolin-4-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(quinazolin-4-ylthio)methyl]-s-triazin-2-yl]amine Formula: C12H11N7S MolecularWeight: 285.32764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC3=NC(=NC(=N3)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C12H11N7S/c13-11-17-9(18-12(14)19-11)5-20-10-7-3-1-2-4-8(7)15-6-16-10/h1-4,6H,5H2,(H4,13,14,17,18,19)