3-[3-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C18H21N9OS MolecularWeight: 411.48404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C18H21N9OS/c19-13(28)8-9-27-15(11-6-7-11)25-26-18(27)29-10-14-22-16(20)24-17(23-14)21-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H2,19,28)(H3,20,21,22,23,24)