N-cycloheptyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cycloheptyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-cycloheptyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-cycloheptyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-cycloheptyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: cycloheptyl-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O3/c1-31-19-10-8-18(9-11-19)26-12-14-27(15-13-26)22-20(28(29)30)21(23-16-24-22)25-17-6-4-2-3-5-7-17/h8-11,16-17H,2-7,12-15H2,1H3,(H,23,24,25)