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1-chloranyl-7,9-dihydro-3H-purine-2,6,8-trione; 1,1,3-triethylthiourea

1-chloranyl-7,9-dihydro-3H-purine-2,6,8-trione; 1,1,3-triethylthiourea

Systemtic Name:1-chloranyl-7,9-dihydro-3H-purine-2,6,8-trione; 1,1,3-triethylthiourea
Openeye Name:1-chloro-7,9-dihydro-3H-purine-2,6,8-trione; 1,1,3-triethylthiourea
CAS Name:1-chloro-7,9-dihydro-3H-purine-2,6,8-trione; 1,1,3-triethylthiourea
IUPAC Name:1-chloro-7,9-dihydro-3H-purine-2,6,8-trione; 1,1,3-triethylthiourea
Traditional Name:1-chlorouric acid; 1,1,3-triethylthiourea
Formula: C12H19ClN6O3S
MolecularWeight: 362.83566
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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(CC)CC.C12=C(NC(=O)N1)NC(=O)N(C2=O)Cl


Isomeric SMILES

CCNC(=S)N(CC)CC.C12=C(NC(=O)N1)NC(=O)N(C2=O)Cl


InChI

InChI=1S/C7H16N2S.C5H3ClN4O3/c1-4-8-7(10)9(5-2)6-3;6-10-3(11)1-2(9-5(10)13)8-4(12)7-1/h4-6H2,1-3H3,(H,8,10);(H,9,13)(H2,7,8,12)


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