(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic 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 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C19H20N6O3S/c20-18-23-15(24-19(25-18)22-14-5-2-1-3-6-14)11-28-16(26)7-4-9-21-17(27)13-8-10-29-12-13/h1-3,5-6,8,10,12H,4,7,9,11H2,(H,21,27)(H3,20,22,23,24,25)