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

Systemtic Name: 7-cyclopropyl-1,3-dimethyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-cyclopropyl-1,3-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclopropyl-1,3-dimethyl-5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-cyclopropyl-1,3-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-cyclopropyl-5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5)C(=O)N(C1=O)C

InChI

InChI=1S/C23H26N6O3S/c1-26-20-18(22(31)27(2)23(26)32)21(25-19(24-20)15-8-9-15)33-14-17(30)29-12-10-28(11-13-29)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3