1,3-dimethyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-7-propan-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-propan-2-yl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-isopropyl-1,3-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-7-propan-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-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-isopropyl-5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C(=N1)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)C1=NC2=C(C(=N1)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C23H28N6O3S/c1-15(2)19-24-20-18(22(31)27(4)23(32)26(20)3)21(25-19)33-14-17(30)29-12-10-28(11-13-29)16-8-6-5-7-9-16/h5-9,15H,10-14H2,1-4H3