3-[[1-(2-azanyl-5-butyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]pentane-2,4-dione

Systemtic Name: 3-[[1-(2-azanyl-5-butyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]pentane-2,4-dione Openeye Name: 3-[1-(2-amino-5-butyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanylpentane-2,4-dione CAS Name: 3-[[1-(2-amino-5-butyl-6-methyl-4-pyrimidinyl)-3-diazirinyl]thio]pentane-2,4-dione IUPAC Name: 3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)diazirin-3-yl]sulfanylpentane-2,4-dione Traditional Name: 3-[[1-(2-amino-5-butyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]thio]pentane-2,4-dione Formula: C15H21N5O2S MolecularWeight: 335.42454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(N=C1N2C(=N2)SC(C(=O)C)C(=O)C)N)C

Isomeric SMILES

CCCCC1=C(N=C(N=C1N2C(=N2)SC(C(=O)C)C(=O)C)N)C

InChI

InChI=1S/C15H21N5O2S/c1-5-6-7-11-8(2)17-14(16)18-13(11)20-15(19-20)23-12(9(3)21)10(4)22/h12H,5-7H2,1-4H3,(H2,16,17,18)