methyl 7-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-(4-methylpiperazin-1-yl)sulfonyl-2H-1,3-benzoxazole-3-carboxylate

Systemtic Name: methyl 7-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-(4-methylpiperazin-1-yl)sulfonyl-2H-1,3-benzoxazole-3-carboxylate Openeye Name: methyl 7-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-(4-methylpiperazin-1-yl)sulfonyl-2H-1,3-benzoxazole-3-carboxylate CAS Name: 7-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-[(4-methyl-1-piperazinyl)sulfonyl]-2H-1,3-benzoxazole-3-carboxylic acid methyl ester IUPAC Name: methyl 7-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-(4-methylpiperazin-1-yl)sulfonyl-2H-1,3-benzoxazole-3-carboxylate Traditional Name: 7-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-(4-methylpiperazino)sulfonyl-2H-1,3-benzoxazole-3-carboxylic acid methyl ester Formula: C23H29N7O6S MolecularWeight: 531.58466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3OCN4C(=O)OC)S(=O)(=O)N5CCN(CC5)C)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3OCN4C(=O)OC)S(=O)(=O)N5CCN(CC5)C)C

InChI

InChI=1S/C23H29N7O6S/c1-5-6-16-18-19(28(3)26-16)22(31)25-21(24-18)15-11-14(37(33,34)29-9-7-27(2)8-10-29)12-17-20(15)36-13-30(17)23(32)35-4/h11-12H,5-10,13H2,1-4H3,(H,24,25,31)