N'-[(2S)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropanoyl]-4-methyl-benzohydrazide

Systemtic Name: N'-[(2S)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropanoyl]-4-methyl-benzohydrazide Openeye Name: N'-[(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoyl]-4-methyl-benzohydrazide CAS Name: N'-[(2S)-2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxopropyl]-4-methylbenzohydrazide IUPAC Name: N'-[(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoyl]-4-methylbenzohydrazide Traditional Name: N'-[(2S)-2-[(4,6-diaminopyrimidin-2-yl)thio]propanoyl]-4-methyl-benzohydrazide Formula: C15H18N6O2S MolecularWeight: 346.40742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=O)C(C)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=O)[C@H](C)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C15H18N6O2S/c1-8-3-5-10(6-4-8)14(23)21-20-13(22)9(2)24-15-18-11(16)7-12(17)19-15/h3-7,9H,1-2H3,(H,20,22)(H,21,23)(H4,16,17,18,19)/t9-/m0/s1