6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-7-iodanyl-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-7-iodanyl-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione Openeye Name: 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-7-iodo-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione CAS Name: 6-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-7-iodo-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione IUPAC Name: 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-iodo-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione Traditional Name: 6-[2-ethoxy-5-(4-ethylpiperazino)sulfonyl-phenyl]-7-iodo-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-quinone Formula: C24H32IN5O5S MolecularWeight: 629.51085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)NC(=C2I)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)NC(=C2I)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC

InChI

InChI=1S/C24H32IN5O5S/c1-5-10-30-22-19(25)20(26-21(22)23(31)27(4)24(30)32)17-15-16(8-9-18(17)35-7-3)36(33,34)29-13-11-28(6-2)12-14-29/h8-9,15,26H,5-7,10-14H2,1-4H3