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

Systemtic Name: 7-tert-butyl-1,3-dimethyl-5-[1-(3-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-1,3-dimethyl-5-[1-methyl-2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-1,3-dimethyl-5-[[1-(3-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-1,3-dimethyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-5-[[2-keto-1-methyl-2-(3-methylpiperidino)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:

CC1CCCN(C1)C(=O)C(C)SC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

Isomeric SMILES

CC1CCCN(C1)C(=O)C(C)SC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

InChI

InChI=1S/C21H31N5O3S/c1-12-9-8-10-26(11-12)17(27)13(2)30-16-14-15(22-19(23-16)21(3,4)5)24(6)20(29)25(7)18(14)28/h12-13H,8-11H2,1-7H3