methyl 5-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C19H21N5O4S2 MolecularWeight: 447.53114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C19H21N5O4S2/c1-28-19(25)13-10-17(29-12-13)30(26,27)24-8-6-23(7-9-24)11-16-21-15-5-3-2-4-14(15)18(20)22-16/h2-5,10,12H,6-9,11H2,1H3,(H2,20,21,22)