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

Systemtic Name: N-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-N-[(E)-5-oxidanyl-3-sulfanyl-pent-2-en-2-yl]methanamide Openeye Name: N-[(2,4-diaminopyrimidin-5-yl)methyl]-N-[(E)-4-hydroxy-1-methyl-2-sulfanyl-but-1-enyl]formamide CAS Name: N-[(2,4-diamino-5-pyrimidinyl)methyl]-N-[(E)-5-hydroxy-3-mercaptopent-2-en-2-yl]formamide IUPAC Name: N-[(2,4-diaminopyrimidin-5-yl)methyl]-N-[(E)-5-hydroxy-3-sulfanylpent-2-en-2-yl]formamide Traditional Name: N-[(2,4-diaminopyrimidin-5-yl)methyl]-N-[(E)-4-hydroxy-2-mercapto-1-methyl-but-1-enyl]formamide Formula: C11H17N5O2S MolecularWeight: 283.34998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CCO)S)N(CC1=CN=C(N=C1N)N)C=O

Isomeric SMILES

C/C(=C(/CCO)\S)/N(CC1=CN=C(N=C1N)N)C=O

InChI

InChI=1S/C11H17N5O2S/c1-7(9(19)2-3-17)16(6-18)5-8-4-14-11(13)15-10(8)12/h4,6,17,19H,2-3,5H2,1H3,(H4,12,13,14,15)/b9-7+