(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H22N6O4S MolecularWeight: 454.50218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N6O4S/c22-20-25-17(26-21(27-20)24-14-5-2-1-3-6-14)13-31-19(30)10-11-23-18(29)9-8-15(28)16-7-4-12-32-16/h1-7,12H,8-11,13H2,(H,23,29)(H3,22,24,25,26,27)