[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-sulfanyl-pent-3-enyl] 2-methylpropanoate

Systemtic Name: [4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-sulfanyl-pent-3-enyl] 2-methylpropanoate Openeye Name: [4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-sulfanyl-pent-3-enyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [4-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-3-mercaptopent-3-enyl] ester IUPAC Name: [4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-sulfanylpent-3-enyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-mercapto-pent-3-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(CCOC(=O)C(C)C)S)C

Isomeric SMILES

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C(C)C)S)C

InChI

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