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

Systemtic Name: 1-methyl-5-[3-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-2H-1,3-benzoxazol-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 1-methyl-5-[3-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-2H-1,3-benzoxazol-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1-methyl-5-[3-methyl-5-[(4-methyl-1-piperazinyl)sulfonyl]-2H-1,3-benzoxazol-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 1-methyl-5-[3-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-2H-1,3-benzoxazol-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 1-methyl-5-[3-methyl-5-(4-methylpiperazino)sulfonyl-2H-1,3-benzoxazol-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H29N7O4S MolecularWeight: 487.57516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N7O4S/c1-5-6-16-18-19(28(4)25-16)22(30)24-21(23-18)15-11-14(12-17-20(15)33-13-27(17)3)34(31,32)29-9-7-26(2)8-10-29/h11-12H,5-10,13H2,1-4H3,(H,23,24,30)