6-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)-N2-phenyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-(benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[(4-benzofuro[3,2-d]pyrimidinylthio)methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(benzofuro[3,2-d]pyrimidin-4-ylthio)methyl]-s-triazin-2-yl]-phenyl-amine Formula: C20H15N7OS MolecularWeight: 401.4444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC=NC4=C3OC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC=NC4=C3OC5=CC=CC=C54

InChI

InChI=1S/C20H15N7OS/c21-19-25-15(26-20(27-19)24-12-6-2-1-3-7-12)10-29-18-17-16(22-11-23-18)13-8-4-5-9-14(13)28-17/h1-9,11H,10H2,(H3,21,24,25,26,27)