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

Systemtic Name: ethyl 1-methyl-8-[(4-methylsulfonylphenyl)methylamino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate Openeye Name: ethyl 1-methyl-8-[(4-methylsulfonylphenyl)methylamino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate CAS Name: 1-methyl-8-[(4-methylsulfonylphenyl)methylamino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-8-[(4-methylsulfonylphenyl)methylamino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate Traditional Name: 8-[(4-mesylbenzyl)amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylic acid ethyl ester Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1CCC3=CN=C(N=C32)NCC4=CC=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1CCC3=CN=C(N=C32)NCC4=CC=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C21H23N5O4S/c1-4-30-20(27)18-16-10-7-14-12-23-21(24-17(14)19(16)26(2)25-18)22-11-13-5-8-15(9-6-13)31(3,28)29/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,22,23,24)