5MD

Summary

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	(1R)-1,4-anhydro-2-deoxy-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-erythro-pentitol
OpenEye OEToolkits	1.5.0	5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-pyrimidine-2,4-dione

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N(C=C(C(=O)N1)C2OC(CO)C(O)C2)C
SMILES_CANONICAL	CACTVS	3.341	CN1C=C([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O
SMILES	CACTVS	3.341	CN1C=C([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CN1C=C(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
SMILES	OpenEye OEToolkits	1.5.0	CN1C=C(C(=O)NC1=O)C2CC(C(O2)CO)O
InChI	InChI	1.03	InChI=1S/C10H14N2O5/c1-12-3-5(9(15)11-10(12)16)7-2-6(14)8(4-13)17-7/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
InChIKey	InChI	1.03	AMDJRICBYOAHBZ-XLPZGREQSA-N