3-[4-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 3-[4-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione Openeye Name: 3-[4-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]phenyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione CAS Name: 3-[4-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]phenyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione IUPAC Name: 3-[4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione Traditional Name: 3-[4-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]phenyl]-1H-thieno[3,2-d]pyrimidine-2,4-quinone Formula: C25H23ClN4O3S MolecularWeight: 494.99312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=C(C=CS5)NC4=O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=C(C=CS5)NC4=O

InChI

InChI=1S/C25H23ClN4O3S/c1-16-2-5-18(26)15-21(16)28-9-11-29(12-10-28)22(31)14-17-3-6-19(7-4-17)30-24(32)23-20(8-13-34-23)27-25(30)33/h2-8,13,15H,9-12,14H2,1H3,(H,27,33)