3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(phenylmethyl)-N-(2-piperidin-1-ylethyl)-4-propoxy-benzenesulfonamide

Systemtic Name: 3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(phenylmethyl)-N-(2-piperidin-1-ylethyl)-4-propoxy-benzenesulfonamide Openeye Name: N-benzyl-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-[2-(1-piperidyl)ethyl]-4-propoxy-benzenesulfonamide CAS Name: 3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(phenylmethyl)-N-[2-(1-piperidinyl)ethyl]-4-propoxybenzenesulfonamide IUPAC Name: N-benzyl-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2-piperidin-1-ylethyl)-4-propoxybenzenesulfonamide Traditional Name: N-benzyl-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2-piperidinoethyl)-4-propoxy-benzenesulfonamide Formula: C32H42N6O4S MolecularWeight: 606.77868

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N(CCN4CCCCC4)CC5=CC=CC=C5)OCCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N(CCN4CCCCC4)CC5=CC=CC=C5)OCCC)C

InChI

InChI=1S/C32H42N6O4S/c1-4-12-27-29-30(36(3)35-27)32(39)34-31(33-29)26-22-25(15-16-28(26)42-21-5-2)43(40,41)38(23-24-13-8-6-9-14-24)20-19-37-17-10-7-11-18-37/h6,8-9,13-16,22H,4-5,7,10-12,17-21,23H2,1-3H3,(H,33,34,39)