2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-benzyl-N-isopropyl-acetamide CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-N-(phenylmethyl)-N-propan-2-ylacetamide IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-benzyl-N-propan-2-ylacetamide Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-N-benzyl-N-isopropyl-acetamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C22H26N6OS/c1-16(2)28(13-17-9-5-3-6-10-17)20(29)15-30-14-19-25-21(23)27-22(26-19)24-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H3,23,24,25,26,27)