1-methyl-8-[(4-methylsulfonylphenyl)methylamino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid

Systemtic Name: 1-methyl-8-[(4-methylsulfonylphenyl)methylamino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid Openeye Name: 1-methyl-8-[(4-methylsulfonylphenyl)methylamino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid CAS Name: 1-methyl-8-[(4-methylsulfonylphenyl)methylamino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid IUPAC Name: 1-methyl-8-[(4-methylsulfonylphenyl)methylamino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid Traditional Name: 8-[(4-mesylbenzyl)amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CCC3=CN=C(N=C32)NCC4=CC=C(C=C4)S(=O)(=O)C)C(=N1)C(=O)O

Isomeric SMILES

CN1C2=C(CCC3=CN=C(N=C32)NCC4=CC=C(C=C4)S(=O)(=O)C)C(=N1)C(=O)O

InChI

InChI=1S/C19H19N5O4S/c1-24-17-14(16(23-24)18(25)26)8-5-12-10-21-19(22-15(12)17)20-9-11-3-6-13(7-4-11)29(2,27)28/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,25,26)(H,20,21,22)