3-but-3-enyl-8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-7H-purine-2,6-dione

Systemtic Name: 3-but-3-enyl-8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-7H-purine-2,6-dione Openeye Name: 3-but-3-enyl-8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-7H-purine-2,6-dione CAS Name: 3-but-3-enyl-8-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-methyl-7H-purine-2,6-dione IUPAC Name: 3-but-3-enyl-8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-7H-purine-2,6-dione Traditional Name: 3-but-3-enyl-8-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1-methyl-7H-purine-2,6-quinone Formula: C23H30N6O5S MolecularWeight: 502.5865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(N3)C(=O)N(C(=O)N4CCC=C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(N3)C(=O)N(C(=O)N4CCC=C)C

InChI

InChI=1S/C23H30N6O5S/c1-5-7-10-29-21-19(22(30)27(4)23(29)31)24-20(25-21)17-15-16(8-9-18(17)34-6-2)35(32,33)28-13-11-26(3)12-14-28/h5,8-9,15H,1,6-7,10-14H2,2-4H3,(H,24,25)