S-[(E)-2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-oxidanyl-pent-2-en-3-yl] 2-methylpropanethioate

Systemtic Name: S-[(E)-2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-oxidanyl-pent-2-en-3-yl] 2-methylpropanethioate Openeye Name: S-[(E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(E)-2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-5-hydroxypent-2-en-3-yl] ester IUPAC Name: S-[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl] ester Formula: C16H24N4O3S MolecularWeight: 352.45176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SC(=O)C(C)C)C

Isomeric SMILES

CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(\CCO)/SC(=O)C(C)C)/C

InChI

InChI=1S/C16H24N4O3S/c1-10(2)16(23)24-14(5-6-21)11(3)20(9-22)8-13-7-18-12(4)19-15(13)17/h7,9-10,21H,5-6,8H2,1-4H3,(H2,17,18,19)/b14-11+