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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=S)N)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN2C(=CC(=NC2=S)N)N(C1=O)CC3=CC=CC=C3

InChI

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