1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,3-benzoxazol-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,3-benzoxazol-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,3-benzoxazol-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1-methyl-5-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2,3-dihydro-1,3-benzoxazol-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,3-benzoxazol-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 1-methyl-5-[5-(4-methylpiperazino)sulfonyl-2,3-dihydro-1,3-benzoxazol-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H27N7O4S MolecularWeight: 473.54858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3OCN4)S(=O)(=O)N5CCN(CC5)C)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3OCN4)S(=O)(=O)N5CCN(CC5)C)C

InChI

InChI=1S/C21H27N7O4S/c1-4-5-15-17-18(27(3)25-15)21(29)24-20(23-17)14-10-13(11-16-19(14)32-12-22-16)33(30,31)28-8-6-26(2)7-9-28/h10-11,22H,4-9,12H2,1-3H3,(H,23,24,29)