2-ethylpyridine-4-carbothioamide; (2S)-2-[2-[[(2S)-1-oxidanylbutan-2-yl]amino]ethylamino]butan-1-ol; pyrazine-2-carboxamide

Systemtic Name: 2-ethylpyridine-4-carbothioamide; (2S)-2-[2-[[(2S)-1-oxidanylbutan-2-yl]amino]ethylamino]butan-1-ol; pyrazine-2-carboxamide Openeye Name: 2-ethylpyridine-4-carbothioamide; (2S)-2-[2-[[(1S)-1-(hydroxymethyl)propyl]amino]ethylamino]butan-1-ol; pyrazine-2-carboxamide CAS Name: 2-ethyl-4-pyridinecarbothioamide; (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]-1-butanol; 2-pyrazinecarboxamide IUPAC Name: 2-ethylpyridine-4-carbothioamide; (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol; pyrazine-2-carboxamide Traditional Name: 2-ethylthioisonicotinamide; (2S)-2-[2-[[(1S)-1-methylolpropyl]amino]ethylamino]butan-1-ol; pyrazinamide Formula: C23H39N7O3S MolecularWeight: 493.66586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CC(=C1)C(=S)N.CCC(CO)NCCNC(CC)CO.C1=CN=C(C=N1)C(=O)N

Isomeric SMILES

CCC1=NC=CC(=C1)C(=S)N.CC[C@@H](CO)NCCN[C@@H](CC)CO.C1=CN=C(C=N1)C(=O)N

InChI

InChI=1S/C10H24N2O2.C8H10N2S.C5H5N3O/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;1-2-7-5-6(8(9)11)3-4-10-7;6-5(9)4-3-7-1-2-8-4/h9-14H,3-8H2,1-2H3;3-5H,2H2,1H3,(H2,9,11);1-3H,(H2,6,9)/t9-,10-;;/m0../s1