2-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methylthio]pyrimidin-4-yl]amine Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NOC(=N3)CSC4=NC(=CC(=N4)N)N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NOC(=N3)CSC4=NC(=CC(=N4)N)N

InChI

InChI=1S/C20H18N6OS/c21-15-11-16(22)24-20(23-15)28-12-17-25-19(26-27-17)18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,18H,12H2,(H4,21,22,23,24)