(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-pyrimidin-2-yl-methanethiol

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-pyrimidin-2-yl-methanethiol Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)-pyrimidin-2-yl-methanethiol CAS Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)-(2-pyrimidinyl)methanethiol IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)-pyrimidin-2-ylmethanethiol Traditional Name: (4-amino-6-anilino-s-triazin-2-yl)-(2-pyrimidyl)methanethiol Formula: C14H13N7S MolecularWeight: 311.36492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C(C3=NC=CC=N3)S

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C(C3=NC=CC=N3)S

InChI

InChI=1S/C14H13N7S/c15-13-19-12(10(22)11-16-7-4-8-17-11)20-14(21-13)18-9-5-2-1-3-6-9/h1-8,10,22H,(H3,15,18,19,20,21)