N-[4-chloranyl-6-(1-oxidanylbutan-2-ylamino)-1,3,5-triazin-2-yl]pyrazine-2-carboxamide

Systemtic Name: N-[4-chloranyl-6-(1-oxidanylbutan-2-ylamino)-1,3,5-triazin-2-yl]pyrazine-2-carboxamide Openeye Name: N-[4-chloro-6-[1-(hydroxymethyl)propylamino]-1,3,5-triazin-2-yl]pyrazine-2-carboxamide CAS Name: N-[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]-2-pyrazinecarboxamide IUPAC Name: N-[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]pyrazine-2-carboxamide Traditional Name: N-[4-chloro-6-(1-methylolpropylamino)-s-triazin-2-yl]pyrazinamide Formula: C12H14ClN7O2 MolecularWeight: 323.73826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC(=NC(=N1)NC(=O)C2=NC=CN=C2)Cl

Isomeric SMILES

CCC(CO)NC1=NC(=NC(=N1)NC(=O)C2=NC=CN=C2)Cl

InChI

InChI=1S/C12H14ClN7O2/c1-2-7(6-21)16-11-18-10(13)19-12(20-11)17-9(22)8-5-14-3-4-15-8/h3-5,7,21H,2,6H2,1H3,(H2,16,17,18,19,20,22)