N-[3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-phenyl]sulfonyl-3-(1-methylpyrrolidin-2-yl)propanamide

Systemtic Name: N-[3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-phenyl]sulfonyl-3-(1-methylpyrrolidin-2-yl)propanamide Openeye Name: N-[3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-phenyl]sulfonyl-3-(1-methylpyrrolidin-2-yl)propanamide CAS Name: N-[3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxyphenyl]sulfonyl-3-(1-methyl-2-pyrrolidinyl)propanamide IUPAC Name: N-[3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxyphenyl]sulfonyl-3-(1-methylpyrrolidin-2-yl)propanamide Traditional Name: N-[3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-phenyl]sulfonyl-3-(1-methylpyrrolidin-2-yl)propionamide Formula: C26H36N6O5S MolecularWeight: 544.66624

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NC(=O)CCC4CCCN4C)OCCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NC(=O)CCC4CCCN4C)OCCC)C

InChI

InChI=1S/C26H36N6O5S/c1-5-8-20-23-24(32(4)29-20)26(34)28-25(27-23)19-16-18(11-12-21(19)37-15-6-2)38(35,36)30-22(33)13-10-17-9-7-14-31(17)3/h11-12,16-17H,5-10,13-15H2,1-4H3,(H,30,33)(H,27,28,34)