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

Systemtic Name: S-[(E)-2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-oxidanyl-pent-2-en-3-yl] 2,2-dimethylpropanethioate Openeye Name: S-[(E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic 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] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[(E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl] ester Formula: C17H26N4O3S MolecularWeight: 366.47834

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O3S/c1-11(14(6-7-22)25-16(24)17(3,4)5)21(10-23)9-13-8-19-12(2)20-15(13)18/h8,10,22H,6-7,9H2,1-5H3,(H2,18,19,20)/b14-11+