2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanylmethyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[(4,6-diamino-1,3,5-triazin-2-yl)thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[(4,6-diamino-s-triazin-2-yl)thio]methyl]indolizine-1-carbonitrile Formula: C13H11N7S MolecularWeight: 297.33834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)CSC3=NC(=NC(=N3)N)N)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)CSC3=NC(=NC(=N3)N)N)C#N

InChI

InChI=1S/C13H11N7S/c14-5-9-8(6-20-4-2-1-3-10(9)20)7-21-13-18-11(15)17-12(16)19-13/h1-4,6H,7H2,(H4,15,16,17,18,19)