5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-ethyl-5-(7H-purin-6-ylsulfanyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-ethyl-5-(7H-purin-6-ylthio)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-ethyl-5-(7H-purin-6-ylthio)barbituric acid Formula: C11H10N6O3S MolecularWeight: 306.3005

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=O)NC1=O)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

CCC1(C(=O)NC(=O)NC1=O)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C11H10N6O3S/c1-2-11(8(18)16-10(20)17-9(11)19)21-7-5-6(13-3-12-5)14-4-15-7/h3-4H,2H2,1H3,(H,12,13,14,15)(H2,16,17,18,19,20)