5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-prop-2-enyl-pyrimidin-4-amine

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-prop-2-enyl-pyrimidin-4-amine Openeye Name: N-allyl-6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-N-prop-2-enyl-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-prop-2-enylpyrimidin-4-amine Traditional Name: allyl-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N6O2/c1-2-8-19-17-16(24(25)26)18(21-14-20-17)23-11-9-22(10-12-23)13-15-6-4-3-5-7-15/h2-7,14H,1,8-13H2,(H,19,20,21)