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

Systemtic Name: 7-ethyl-1,3-dimethyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-ethyl-1,3-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-ethyl-1,3-dimethyl-5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-ethyl-1,3-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-ethyl-5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC1=NC2=C(C(=N1)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C22H26N6O3S/c1-4-16-23-19-18(21(30)26(3)22(31)25(19)2)20(24-16)32-14-17(29)28-12-10-27(11-13-28)15-8-6-5-7-9-15/h5-9H,4,10-14H2,1-3H3