5-(phenylmethylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine

Systemtic Name: 5-(phenylmethylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine Openeye Name: 5-benzylsulfanyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine CAS Name: 5-(phenylmethylthio)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine IUPAC Name: 5-benzylsulfanyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine Traditional Name: 5-(benzylthio)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine Formula: C12H11N5S MolecularWeight: 257.31424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CNN3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CNN3

InChI

InChI=1S/C12H11N5S/c1-2-4-9(5-3-1)6-18-12-10-11(14-7-15-12)17-16-8-13-10/h1-5,7-8H,6H2,(H,13,16)(H,14,15,17)