[4-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(4-amino-6-anilino-s-triazin-2-yl)methylthio]methyl]phenyl]-pyrrolidino-methanone Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H24N6OS/c23-21-25-19(26-22(27-21)24-18-6-2-1-3-7-18)15-30-14-16-8-10-17(11-9-16)20(29)28-12-4-5-13-28/h1-3,6-11H,4-5,12-15H2,(H3,23,24,25,26,27)