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

Systemtic Name: N-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-N-[3-(3-hydroxyimino-3-phenyl-propyl)sulfanyl-5-oxidanyl-pent-2-en-2-yl]methanamide Openeye Name: N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[4-hydroxy-2-(3-hydroxyimino-3-phenyl-propyl)sulfanyl-1-methyl-but-1-enyl]formamide CAS Name: N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[5-hydroxy-3-[(3-hydroxyimino-3-phenylpropyl)thio]pent-2-en-2-yl]formamide IUPAC Name: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[5-hydroxy-3-(3-hydroxyimino-3-phenylpropyl)sulfanylpent-2-en-2-yl]formamide Traditional Name: N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[2-[(3-hydroximino-3-phenyl-propyl)thio]-4-hydroxy-1-methyl-but-1-enyl]formamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SCCC(=NO)C2=CC=CC=C2)C

Isomeric SMILES

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SCCC(=NO)C2=CC=CC=C2)C

InChI

InChI=1S/C21H27N5O3S/c1-15(26(14-28)13-18-12-23-16(2)24-21(18)22)20(8-10-27)30-11-9-19(25-29)17-6-4-3-5-7-17/h3-7,12,14,27,29H,8-11,13H2,1-2H3,(H2,22,23,24)