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

Systemtic Name: 7-tert-butyl-5-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-5-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-5-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-5-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

InChI

InChI=1S/C21H31N5O3S/c1-7-13-10-8-9-11-26(13)14(27)12-30-17-15-16(22-19(23-17)21(2,3)4)24(5)20(29)25(6)18(15)28/h13H,7-12H2,1-6H3