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

Systemtic Name: 7-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-(4-methylpiperazin-1-yl)sulfonyl-3H-1,2-benzoxazole-2-carboxamide Openeye Name: 7-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-(4-methylpiperazin-1-yl)sulfonyl-3H-1,2-benzoxazole-2-carboxamide CAS Name: 7-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-[(4-methyl-1-piperazinyl)sulfonyl]-3H-1,2-benzoxazole-2-carboxamide IUPAC Name: 7-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-(4-methylpiperazin-1-yl)sulfonyl-3H-1,2-benzoxazole-2-carboxamide Traditional Name: 7-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-(4-methylpiperazino)sulfonyl-3H-indoxazene-2-carboxamide Formula: C22H28N8O5S MolecularWeight: 516.57332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3ON(C4)C(=O)N)S(=O)(=O)N5CCN(CC5)C)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3ON(C4)C(=O)N)S(=O)(=O)N5CCN(CC5)C)C

InChI

InChI=1S/C22H28N8O5S/c1-4-5-16-17-18(28(3)26-16)21(31)25-20(24-17)15-11-14(10-13-12-30(22(23)32)35-19(13)15)36(33,34)29-8-6-27(2)7-9-29/h10-11H,4-9,12H2,1-3H3,(H2,23,32)(H,24,25,31)