Analyte Name

2-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5-methyl-11-methylsulfonylpyrimido[4,5-b][1,4]benzodiazepin-6-one

CAS Number

2035509-96-5

Molecular Formula

C32 H40 N8 O5 S

Molecular Weight

648.776

Accurate Mass

648.284

SMILES

CCOc1cc(ccc1Nc2ncc3N(C)C(=O)c4ccccc4N(c3n2)S(=O)(=O)C)C(=O)N5CCC(CC5)N6CCN(C)CC6

InChI

InChI=1S/C32H40N8O5S/c1-5-45-28-20-22(30(41)39-14-12-23(13-15-39)38-18-16-36(2)17-19-38)10-11-25(28)34-32-33-21-27-29(35-32)40(46(4,43)44)26-9-7-6-8-24(26)31(42)37(27)3/h6-11,20-21,23H,5,12-19H2,1-4H3,(H,33,34,35)

IUPAC

2-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5-methyl-11-methylsulfonylpyrimido[4,5-b][1,4]benzodiazepin-6-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat