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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic 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-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H16ClN5O3S MolecularWeight: 417.86934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H16ClN5O3S/c19-14-8-7-13(28-14)12(25)6-9-16(26)27-10-15-22-17(20)24-18(23-15)21-11-4-2-1-3-5-11/h1-5,7-8H,6,9-10H2,(H3,20,21,22,23,24)