N-[(4-methylphenyl)methyl]-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine

Systemtic Name: N-[(4-methylphenyl)methyl]-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine Openeye Name: 5-nitro-N-(p-tolylmethyl)-6-pyrrolidin-1-yl-pyrimidin-4-amine CAS Name: N-[(4-methylphenyl)methyl]-5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: N-[(4-methylphenyl)methyl]-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine Traditional Name: (4-methylbenzyl)-(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C16H19N5O2/c1-12-4-6-13(7-5-12)10-17-15-14(21(22)23)16(19-11-18-15)20-8-2-3-9-20/h4-7,11H,2-3,8-10H2,1H3,(H,17,18,19)