N-(3-methylbutyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(3-methylbutyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-isopentyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-(3-methylbutyl)-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-(3-methylbutyl)-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: isoamyl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O2S/c1-11(2)8-9-16-14-13(19(20)21)15(18-10-17-14)22-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,17,18)