5-nitro-4-[4-(phenylmethyl)piperazin-1-yl]-6-(4-prop-2-enylpiperazin-1-yl)pyrimidine

Systemtic Name: 5-nitro-4-[4-(phenylmethyl)piperazin-1-yl]-6-(4-prop-2-enylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-allylpiperazin-1-yl)-6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 5-nitro-4-[4-(phenylmethyl)-1-piperazinyl]-6-(4-prop-2-enyl-1-piperazinyl)pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-5-nitro-6-(4-prop-2-enylpiperazin-1-yl)pyrimidine Traditional Name: 4-(4-allylpiperazino)-6-(4-benzylpiperazino)-5-nitro-pyrimidine Formula: C22H29N7O2 MolecularWeight: 423.51136

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C=CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N7O2/c1-2-8-25-9-13-27(14-10-25)21-20(29(30)31)22(24-18-23-21)28-15-11-26(12-16-28)17-19-6-4-3-5-7-19/h2-7,18H,1,8-17H2