N-(cyclopropylmethyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-propyl-pyrimidin-4-amine

Systemtic Name: N-(cyclopropylmethyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-propyl-pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(cyclopropylmethyl)-5-nitro-N-propyl-pyrimidin-4-amine CAS Name: N-(cyclopropylmethyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-N-propyl-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(cyclopropylmethyl)-5-nitro-N-propylpyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(cyclopropylmethyl)-propyl-amine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCN(CC1CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N6O2/c1-2-10-27(16-19-8-9-19)22-20(28(29)30)21(23-17-24-22)26-13-11-25(12-14-26)15-18-6-4-3-5-7-18/h3-7,17,19H,2,8-16H2,1H3