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

Systemtic Name: 5-[2-ethoxy-5-[(2-methyl-4-phenyl-3H-1,5-benzodiazepin-3-yl)sulfonyl]phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-ethoxy-5-[(2-methyl-4-phenyl-3H-1,5-benzodiazepin-3-yl)sulfonyl]phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-[(2-methyl-4-phenyl-3H-1,5-benzodiazepin-3-yl)sulfonyl]phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-ethoxy-5-[(2-methyl-4-phenyl-3H-1,5-benzodiazepin-3-yl)sulfonyl]phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-ethoxy-5-[(2-methyl-4-phenyl-3H-1,5-benzodiazepin-3-yl)sulfonyl]phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C33H32N6O4S MolecularWeight: 608.70998

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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=C5N=C4C6=CC=CC=C6)C)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)C4C(=NC5=CC=CC=C5N=C4C6=CC=CC=C6)C)OCC)C

InChI

InChI=1S/C33H32N6O4S/c1-5-12-26-29-30(39(4)38-26)33(40)37-32(36-29)23-19-22(17-18-27(23)43-6-2)44(41,42)31-20(3)34-24-15-10-11-16-25(24)35-28(31)21-13-8-7-9-14-21/h7-11,13-19,31H,5-6,12H2,1-4H3,(H,36,37,40)