1,3-dimethyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-7-thiophen-2-yl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-7-thiophen-2-yl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-7-(2-thienyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,3-dimethyl-7-(2-thienyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C24H24N6O3S2 MolecularWeight: 508.61576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5)C(=O)N(C1=O)C

InChI

InChI=1S/C24H24N6O3S2/c1-27-21-19(23(32)28(2)24(27)33)22(26-20(25-21)17-9-6-14-34-17)35-15-18(31)30-12-10-29(11-13-30)16-7-4-3-5-8-16/h3-9,14H,10-13,15H2,1-2H3