1,3-bis(1-adamantylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1,3-bis(1-adamantylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-bis(1-adamantylmethyl)-5,5-dimethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-bis(1-adamantylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-bis(1-adamantylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-bis(1-adamantylmethyl)-5,5-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C28H40N2O2S MolecularWeight: 468.6944

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N(C1=O)CC23CC4CC(C2)CC(C4)C3)CC56CC7CC(C5)CC(C7)C6)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N(C1=O)CC23CC4CC(C2)CC(C4)C3)CC56CC7CC(C5)CC(C7)C6)C

InChI

InChI=1S/C28H40N2O2S/c1-26(2)23(31)29(15-27-9-17-3-18(10-27)5-19(4-17)11-27)25(33)30(24(26)32)16-28-12-20-6-21(13-28)8-22(7-20)14-28/h17-22H,3-16H2,1-2H3