8-methyl-1,3-bis(2-methylpropyl)-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 8-methyl-1,3-bis(2-methylpropyl)-6-sulfanylidene-7H-purin-2-one Openeye Name: 1,3-diisobutyl-8-methyl-6-thioxo-7H-purin-2-one CAS Name: 8-methyl-1,3-bis(2-methylpropyl)-6-sulfanylidene-7H-purin-2-one IUPAC Name: 8-methyl-1,3-bis(2-methylpropyl)-6-sulfanylidene-7H-purin-2-one Traditional Name: 1,3-diisobutyl-8-methyl-6-thioxo-7H-purin-2-one Formula: C14H22N4OS MolecularWeight: 294.41568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=S)N(C(=O)N2CC(C)C)CC(C)C

Isomeric SMILES

CC1=NC2=C(N1)C(=S)N(C(=O)N2CC(C)C)CC(C)C

InChI

InChI=1S/C14H22N4OS/c1-8(2)6-17-12-11(15-10(5)16-12)13(20)18(14(17)19)7-9(3)4/h8-9H,6-7H2,1-5H3,(H,15,16)