ethyl [(E)-2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-ethoxycarbonyloxy-pent-2-en-3-yl]sulfanylmethanoate hydrate hydrochloride

Systemtic Name: ethyl [(E)-2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-ethoxycarbonyloxy-pent-2-en-3-yl]sulfanylmethanoate hydrate hydrochloride Openeye Name: ethyl [(E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-ethoxycarbonyloxyethyl)prop-1-enyl]sulfanylformate hydrate hydrochloride CAS Name: [[(E)-2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-5-ethoxycarbonyloxypent-2-en-3-yl]thio]formic acid ethyl ester hydrate hydrochloride IUPAC Name: ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-ethoxycarbonyloxypent-2-en-3-yl]sulfanylformate hydrate hydrochloride Traditional Name: [[(E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-carbethoxyoxyethyl)prop-1-enyl]thio]formic acid ethyl ester hydrate hydrochloride Formula: C18H29ClN4O7S MolecularWeight: 480.96346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OCCC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)SC(=O)OCC.O.Cl

Isomeric SMILES

CCOC(=O)OCC/C(=C(/C)\N(CC1=CN=C(N=C1N)C)C=O)/SC(=O)OCC.O.Cl

InChI

InChI=1S/C18H26N4O6S.ClH.H2O/c1-5-26-17(24)28-8-7-15(29-18(25)27-6-2)12(3)22(11-23)10-14-9-20-13(4)21-16(14)19;;/h9,11H,5-8,10H2,1-4H3,(H2,19,20,21);1H;1H2/b15-12+;;