6-azanyl-2-methyl-4-(phenylmethyl)-8-sulfanylidene-pyrimido[1,6-b][1,2,4]triazin-3-one

Systemtic Name: 6-azanyl-2-methyl-4-(phenylmethyl)-8-sulfanylidene-pyrimido[1,6-b][1,2,4]triazin-3-one Openeye Name: 6-amino-4-benzyl-2-methyl-8-thioxo-pyrimido[1,6-b][1,2,4]triazin-3-one CAS Name: 6-amino-2-methyl-4-(phenylmethyl)-8-sulfanylidene-3-pyrimido[1,6-b][1,2,4]triazinone IUPAC Name: 6-amino-4-benzyl-2-methyl-8-sulfanylidenepyrimido[1,6-b][1,2,4]triazin-3-one Traditional Name: 6-amino-4-benzyl-2-methyl-8-thioxo-pyrimido[1,6-b][1,2,4]triazin-3-one Formula: C14H13N5OS MolecularWeight: 299.35092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=S)N=C(N2N(C1=O)CC3=CC=CC=C3)N

Isomeric SMILES

CC1=NC2=CC(=S)N=C(N2N(C1=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C14H13N5OS/c1-9-13(20)18(8-10-5-3-2-4-6-10)19-11(16-9)7-12(21)17-14(19)15/h2-7H,8H2,1H3,(H2,15,17,21)