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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]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-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O3S/c19-17-22-14(23-18(24-17)21-12-5-2-1-3-6-12)11-27-15(25)8-9-20-16(26)13-7-4-10-28-13/h1-7,10H,8-9,11H2,(H,20,26)(H3,19,21,22,23,24)