2-methyl-8-(4-phenylpiperazin-1-yl)carbonyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

Systemtic Name: 2-methyl-8-(4-phenylpiperazin-1-yl)carbonyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one Openeye Name: 2-methyl-8-(4-phenylpiperazine-1-carbonyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one CAS Name: 2-methyl-8-[oxo-(4-phenyl-1-piperazinyl)methyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one IUPAC Name: 2-methyl-8-(4-phenylpiperazine-1-carbonyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one Traditional Name: 2-methyl-8-(4-phenylpiperazine-1-carbonyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)N=C2S1

Isomeric SMILES

CC1=NN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)N=C2S1

InChI

InChI=1S/C21H19N5O2S/c1-14-23-26-20(28)17-8-7-15(13-18(17)22-21(26)29-14)19(27)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3