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

Systemtic Name: 7-tert-butyl-1,3-dimethyl-5-(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-1,3-dimethyl-5-(1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-1,3-dimethyl-5-[[1-oxo-1-(1-pyrrolidinyl)propan-2-yl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-1,3-dimethyl-5-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-5-[(2-keto-1-methyl-2-pyrrolidino-ethyl)thio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H27N5O3S MolecularWeight: 405.51438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

InChI

InChI=1S/C19H27N5O3S/c1-11(15(25)24-9-7-8-10-24)28-14-12-13(20-17(21-14)19(2,3)4)22(5)18(27)23(6)16(12)26/h11H,7-10H2,1-6H3