N-[4-[[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(isopentylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(3-methylbutylamino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C17H22N6O3/c1-11(2)8-9-18-16-15(23(25)26)17(20-10-19-16)22-14-6-4-13(5-7-14)21-12(3)24/h4-7,10-11H,8-9H2,1-3H3,(H,21,24)(H2,18,19,20,22)