3-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-4-methyl-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 3-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-4-methyl-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 3-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-4-methyl-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 3-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-4-methyl-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 3-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-4-methyl-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 3-[4-ethoxy-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-4-methyl-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C27H28N6O5S MolecularWeight: 548.61342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)C4C(=NC5=CC=CC=C5NC4=O)C)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)C4C(=NC5=CC=CC=C5NC4=O)C)OCC)C

InChI

InChI=1S/C27H28N6O5S/c1-5-9-20-22-23(33(4)32-20)26(34)31-25(30-22)17-14-16(12-13-21(17)38-6-2)39(36,37)24-15(3)28-18-10-7-8-11-19(18)29-27(24)35/h7-8,10-14,24H,5-6,9H2,1-4H3,(H,29,35)(H,30,31,34)