5-nitro-N-(phenylmethyl)-6-(4-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(phenylmethyl)-6-(4-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: 6-(4-allylpiperazin-1-yl)-N-benzyl-5-nitro-pyrimidin-4-amine CAS Name: 5-nitro-N-(phenylmethyl)-6-(4-prop-2-enyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-benzyl-5-nitro-6-(4-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: [6-(4-allylpiperazino)-5-nitro-pyrimidin-4-yl]-benzyl-amine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

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