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

Systemtic Name: 1,3-dimethyl-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(2-keto-2-piperidino-ethyl)thio]-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC(=O)N4CCCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC(=O)N4CCCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C21H23N5O3S/c1-24-18-16(20(28)25(2)21(24)29)19(23-17(22-18)14-9-5-3-6-10-14)30-13-15(27)26-11-7-4-8-12-26/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3