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

Systemtic Name: ethyl [(E)-2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-oxidanyl-pent-2-en-3-yl]sulfanylmethanoate hydrochloride Openeye Name: ethyl [(E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl]sulfanylformate hydrochloride CAS Name: [[(E)-2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]thio]formic acid ethyl ester hydrochloride IUPAC Name: ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]sulfanylformate hydrochloride Traditional Name: [[(E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl]thio]formic acid ethyl ester hydrochloride Formula: C15H23ClN4O4S MolecularWeight: 390.88552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)S/C(=C(\C)/N(CC1=CN=C(N=C1N)C)C=O)/CCO.Cl

InChI

InChI=1S/C15H22N4O4S.ClH/c1-4-23-15(22)24-13(5-6-20)10(2)19(9-21)8-12-7-17-11(3)18-14(12)16;/h7,9,20H,4-6,8H2,1-3H3,(H2,16,17,18);1H/b13-10+;