N-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-N-[(E)-5-oxidanyl-3-(3-oxidanylidene-3-phenyl-propyl)sulfanyl-pent-2-en-2-yl]methanamide

Systemtic Name: N-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-N-[(E)-5-oxidanyl-3-(3-oxidanylidene-3-phenyl-propyl)sulfanyl-pent-2-en-2-yl]methanamide Openeye Name: N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[(E)-4-hydroxy-1-methyl-2-(3-oxo-3-phenyl-propyl)sulfanyl-but-1-enyl]formamide CAS Name: N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[(E)-5-hydroxy-3-[(3-oxo-3-phenylpropyl)thio]pent-2-en-2-yl]formamide IUPAC Name: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-5-hydroxy-3-(3-oxo-3-phenylpropyl)sulfanylpent-2-en-2-yl]formamide Traditional Name: N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[(E)-4-hydroxy-2-[(3-keto-3-phenyl-propyl)thio]-1-methyl-but-1-enyl]formamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SCCC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(\CCO)/SCCC(=O)C2=CC=CC=C2)/C

InChI

InChI=1S/C21H26N4O3S/c1-15(25(14-27)13-18-12-23-16(2)24-21(18)22)20(8-10-26)29-11-9-19(28)17-6-4-3-5-7-17/h3-7,12,14,26H,8-11,13H2,1-2H3,(H2,22,23,24)/b20-15+